NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
439866 |
2k78   |
15913 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k78
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 1133
_Distance_constraint_stats_list.Viol_count 2512
_Distance_constraint_stats_list.Viol_total 3860.194
_Distance_constraint_stats_list.Viol_max 0.445
_Distance_constraint_stats_list.Viol_rms 0.0180
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0038
_Distance_constraint_stats_list.Viol_average_violations_only 0.0512
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 22 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 24 ASN 1.570 0.092 5 0 "[ . 1 . 2 . 3]"
1 25 ALA 1.647 0.092 5 0 "[ . 1 . 2 . 3]"
1 26 ALA 0.159 0.039 10 0 "[ . 1 . 2 . 3]"
1 27 ASP 7.876 0.178 11 0 "[ . 1 . 2 . 3]"
1 28 SER 5.201 0.160 16 0 "[ . 1 . 2 . 3]"
1 29 GLY 0.668 0.080 26 0 "[ . 1 . 2 . 3]"
1 30 THR 0.485 0.050 16 0 "[ . 1 . 2 . 3]"
1 31 LEU 5.200 0.183 14 0 "[ . 1 . 2 . 3]"
1 32 ASN 1.583 0.171 20 0 "[ . 1 . 2 . 3]"
1 33 TYR 3.565 0.202 20 0 "[ . 1 . 2 . 3]"
1 34 GLU 0.342 0.046 17 0 "[ . 1 . 2 . 3]"
1 35 VAL 3.401 0.279 25 0 "[ . 1 . 2 . 3]"
1 36 TYR 4.574 0.279 25 0 "[ . 1 . 2 . 3]"
1 37 LYS 6.824 0.148 21 0 "[ . 1 . 2 . 3]"
1 38 TYR 1.381 0.068 16 0 "[ . 1 . 2 . 3]"
1 39 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 40 THR 2.689 0.148 21 0 "[ . 1 . 2 . 3]"
1 41 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 42 ASP 3.567 0.162 18 0 "[ . 1 . 2 . 3]"
1 43 THR 2.211 0.162 18 0 "[ . 1 . 2 . 3]"
1 44 SER 7.667 0.158 20 0 "[ . 1 . 2 . 3]"
1 46 ALA 3.956 0.158 20 0 "[ . 1 . 2 . 3]"
1 47 ASN 1.323 0.106 13 0 "[ . 1 . 2 . 3]"
1 48 ASP 0.059 0.024 3 0 "[ . 1 . 2 . 3]"
1 50 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 51 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 52 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 53 PRO 1.008 0.067 30 0 "[ . 1 . 2 . 3]"
1 54 ALA 0.518 0.066 2 0 "[ . 1 . 2 . 3]"
1 55 LYS 1.135 0.097 9 0 "[ . 1 . 2 . 3]"
1 56 TYR 1.664 0.113 29 0 "[ . 1 . 2 . 3]"
1 57 ILE 7.403 0.164 19 0 "[ . 1 . 2 . 3]"
1 58 LYS 19.958 0.281 8 0 "[ . 1 . 2 . 3]"
1 59 LYS 0.008 0.008 7 0 "[ . 1 . 2 . 3]"
1 60 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 61 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 62 LYS 5.218 0.281 8 0 "[ . 1 . 2 . 3]"
1 63 LEU 11.509 0.212 15 0 "[ . 1 . 2 . 3]"
1 64 TYR 3.314 0.164 30 0 "[ . 1 . 2 . 3]"
1 65 VAL 5.975 0.230 24 0 "[ . 1 . 2 . 3]"
1 66 GLN 2.234 0.230 24 0 "[ . 1 . 2 . 3]"
1 67 ILE 2.800 0.139 29 0 "[ . 1 . 2 . 3]"
1 68 THR 1.278 0.081 9 0 "[ . 1 . 2 . 3]"
1 69 VAL 2.554 0.139 10 0 "[ . 1 . 2 . 3]"
1 70 ASN 0.320 0.065 10 0 "[ . 1 . 2 . 3]"
1 71 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 74 TRP 0.547 0.069 21 0 "[ . 1 . 2 . 3]"
1 75 ILE 0.904 0.080 27 0 "[ . 1 . 2 . 3]"
1 76 THR 7.213 0.136 28 0 "[ . 1 . 2 . 3]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 78 MET 1.296 0.047 2 0 "[ . 1 . 2 . 3]"
1 79 SER 2.649 0.159 24 0 "[ . 1 . 2 . 3]"
1 80 ILE 1.162 0.069 17 0 "[ . 1 . 2 . 3]"
1 81 GLU 1.378 0.128 10 0 "[ . 1 . 2 . 3]"
1 82 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 83 HIS 3.179 0.146 20 0 "[ . 1 . 2 . 3]"
1 84 LYS 0.778 0.054 15 0 "[ . 1 . 2 . 3]"
1 85 GLU 0.048 0.029 25 0 "[ . 1 . 2 . 3]"
1 86 ASN 2.116 0.103 29 0 "[ . 1 . 2 . 3]"
1 87 ILE 1.093 0.061 8 0 "[ . 1 . 2 . 3]"
1 88 ILE 7.799 0.189 8 0 "[ . 1 . 2 . 3]"
1 89 SER 6.328 0.142 23 0 "[ . 1 . 2 . 3]"
1 90 LYS 4.913 0.189 8 0 "[ . 1 . 2 . 3]"
1 91 ASN 0.230 0.048 26 0 "[ . 1 . 2 . 3]"
1 92 THR 0.165 0.048 26 0 "[ . 1 . 2 . 3]"
1 93 ALA 0.040 0.017 28 0 "[ . 1 . 2 . 3]"
1 94 LYS 0.031 0.031 26 0 "[ . 1 . 2 . 3]"
1 95 ASP 0.033 0.018 27 0 "[ . 1 . 2 . 3]"
1 96 GLU 0.102 0.031 26 0 "[ . 1 . 2 . 3]"
1 97 ARG 2.655 0.142 23 0 "[ . 1 . 2 . 3]"
1 98 THR 4.408 0.139 10 0 "[ . 1 . 2 . 3]"
1 99 SER 0.024 0.011 14 0 "[ . 1 . 2 . 3]"
1 100 GLU 1.010 0.053 21 0 "[ . 1 . 2 . 3]"
1 101 PHE 0.181 0.054 24 0 "[ . 1 . 2 . 3]"
1 102 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 103 VAL 4.412 0.179 16 0 "[ . 1 . 2 . 3]"
1 104 SER 0.168 0.036 15 0 "[ . 1 . 2 . 3]"
1 105 LYS 7.604 0.217 6 0 "[ . 1 . 2 . 3]"
1 106 LEU 6.797 0.183 14 0 "[ . 1 . 2 . 3]"
1 107 ASN 1.694 0.115 28 0 "[ . 1 . 2 . 3]"
1 108 GLY 0.527 0.050 24 0 "[ . 1 . 2 . 3]"
1 109 LYS 2.581 0.160 20 0 "[ . 1 . 2 . 3]"
1 110 ILE 1.799 0.070 22 0 "[ . 1 . 2 . 3]"
1 111 ASP 0.035 0.035 23 0 "[ . 1 . 2 . 3]"
1 112 GLY 0.415 0.063 2 0 "[ . 1 . 2 . 3]"
1 113 LYS 2.150 0.159 24 0 "[ . 1 . 2 . 3]"
1 114 ILE 3.051 0.136 28 0 "[ . 1 . 2 . 3]"
1 115 ASP 2.034 0.101 25 0 "[ . 1 . 2 . 3]"
1 116 VAL 2.636 0.129 30 0 "[ . 1 . 2 . 3]"
1 117 TYR 0.022 0.011 17 0 "[ . 1 . 2 . 3]"
1 118 ILE 2.910 0.164 18 0 "[ . 1 . 2 . 3]"
1 119 ASP 0.263 0.081 29 0 "[ . 1 . 2 . 3]"
1 120 GLU 2.767 0.164 18 0 "[ . 1 . 2 . 3]"
1 121 LYS 0.540 0.189 10 0 "[ . 1 . 2 . 3]"
1 122 VAL 0.128 0.066 21 0 "[ . 1 . 2 . 3]"
1 123 ASN 0.088 0.025 12 0 "[ . 1 . 2 . 3]"
1 124 GLY 0.119 0.025 12 0 "[ . 1 . 2 . 3]"
1 125 LYS 0.605 0.189 10 0 "[ . 1 . 2 . 3]"
1 126 PRO 0.036 0.028 10 0 "[ . 1 . 2 . 3]"
1 127 PHE 0.170 0.037 11 0 "[ . 1 . 2 . 3]"
1 128 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 129 TYR 0.182 0.046 12 0 "[ . 1 . 2 . 3]"
1 130 ASP 0.160 0.046 12 0 "[ . 1 . 2 . 3]"
1 131 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 132 HIS 0.020 0.020 4 0 "[ . 1 . 2 . 3]"
1 133 TYR 0.183 0.037 1 0 "[ . 1 . 2 . 3]"
1 134 ASN 0.537 0.068 16 0 "[ . 1 . 2 . 3]"
1 135 ILE 0.656 0.059 19 0 "[ . 1 . 2 . 3]"
1 136 THR 6.231 0.160 20 0 "[ . 1 . 2 . 3]"
1 137 TYR 0.928 0.085 23 0 "[ . 1 . 2 . 3]"
1 138 LYS 0.897 0.085 23 0 "[ . 1 . 2 . 3]"
1 139 PHE 0.063 0.038 23 0 "[ . 1 . 2 . 3]"
1 140 ASN 3.146 0.202 20 0 "[ . 1 . 2 . 3]"
1 141 GLY 2.764 0.117 13 0 "[ . 1 . 2 . 3]"
1 142 PRO 2.082 0.085 26 0 "[ . 1 . 2 . 3]"
1 143 THR 0.487 0.080 16 0 "[ . 1 . 2 . 3]"
1 144 ASP 1.451 0.067 29 0 "[ . 1 . 2 . 3]"
1 145 VAL 3.724 0.445 9 0 "[ . 1 . 2 . 3]"
1 146 ALA 1.370 0.445 9 0 "[ . 1 . 2 . 3]"
1 147 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 108 GLY QA 1 109 LYS QB 4.600 . 4.600 3.763 3.480 4.092 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 58 LYS HA 1 64 TYR H 4.600 . 4.600 3.479 3.325 3.571 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 56 TYR HA 1 57 ILE H 3.490 . 3.490 2.432 2.390 2.471 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 65 VAL HB 1 101 PHE QB 5.180 . 5.180 3.880 2.895 5.234 0.054 24 0 "[ . 1 . 2 . 3]" 1
5 1 65 VAL QG 1 106 LEU HA 5.070 . 5.070 4.856 4.180 5.198 0.128 8 0 "[ . 1 . 2 . 3]" 1
6 1 81 GLU QB 1 103 VAL HA 5.290 . 5.290 3.770 3.265 4.418 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 35 VAL QG 1 138 LYS QG 5.500 . 5.500 5.083 4.604 5.526 0.026 13 0 "[ . 1 . 2 . 3]" 1
8 1 26 ALA H 1 26 ALA MB 3.320 . 3.320 2.521 1.941 2.757 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 63 LEU QD 1 106 LEU H 4.610 . 4.610 3.576 2.936 4.592 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 107 ASN H 1 141 GLY H 4.650 . 4.650 4.698 4.615 4.765 0.115 28 0 "[ . 1 . 2 . 3]" 1
11 1 79 SER H 1 113 LYS QB 5.500 . 5.500 3.782 2.799 4.261 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 142 PRO HA 1 145 VAL QG 5.450 . 5.450 3.830 2.968 5.363 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 33 TYR H 1 54 ALA MB 5.500 . 5.500 4.520 4.177 4.848 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 56 TYR QB 1 65 VAL QG 4.370 . 4.370 2.431 1.850 3.836 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 31 LEU QB 1 141 GLY QA 4.640 . 4.640 3.865 2.644 4.513 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 104 SER H 1 110 ILE QG 5.500 . 5.500 5.090 4.161 5.536 0.036 15 0 "[ . 1 . 2 . 3]" 1
17 1 66 GLN HA 1 101 PHE H 4.460 . 4.460 3.596 3.209 3.874 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 58 LYS HA 1 63 LEU HA 4.180 . 4.180 1.813 1.753 1.901 0.047 14 0 "[ . 1 . 2 . 3]" 1
19 1 76 THR MG 1 117 TYR QB 5.500 . 5.500 3.140 2.768 3.611 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 25 ALA HA 1 25 ALA MB 2.530 . 2.530 2.133 2.115 2.156 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 67 ILE MG 1 137 TYR QE 5.500 . 5.500 4.062 3.150 4.966 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 104 SER HA 1 105 LYS QB 4.430 . 4.430 4.024 3.913 4.455 0.025 9 0 "[ . 1 . 2 . 3]" 1
23 1 70 ASN HA 1 96 GLU HA 5.060 . 5.060 3.253 2.734 3.551 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 122 VAL QG 1 123 ASN QB 4.370 . 4.370 2.620 2.170 3.170 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 34 GLU HA 1 35 VAL H 3.570 . 3.570 2.676 2.371 2.781 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 118 ILE MG 1 119 ASP H 4.860 . 4.860 2.032 1.902 2.225 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 78 MET HA 1 114 ILE MG 5.500 . 5.500 3.987 3.789 4.189 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 54 ALA HA 1 55 LYS H 3.420 . 3.420 2.500 2.421 2.707 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 143 THR HA 1 143 THR MG 3.200 . 3.200 2.096 1.915 2.432 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 143 THR H 1 144 ASP H 2.400 . 2.400 2.214 1.948 2.463 0.063 20 0 "[ . 1 . 2 . 3]" 1
31 1 90 LYS QB 1 91 ASN H 3.950 . 3.950 3.738 3.412 3.985 0.035 15 0 "[ . 1 . 2 . 3]" 1
32 1 119 ASP HA 1 128 LYS QB 5.130 . 5.130 4.648 3.596 5.130 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 37 LYS QE 1 135 ILE MG 4.250 . 4.250 2.956 2.663 3.884 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 114 ILE QG 1 115 ASP H 4.830 . 4.830 2.208 2.036 2.443 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 60 ASN QB 1 61 GLY H 5.500 . 5.500 3.899 3.671 4.040 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 33 TYR QB 1 34 GLU QB 5.260 . 5.260 4.727 4.596 4.798 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 58 LYS HA 1 62 LYS QB 4.170 . 4.170 4.344 4.181 4.451 0.281 8 0 "[ . 1 . 2 . 3]" 1
38 1 86 ASN QB 1 87 ILE MG 5.500 . 5.500 4.894 4.693 5.055 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 59 LYS H 1 63 LEU H 5.060 . 5.060 4.804 4.623 5.068 0.008 7 0 "[ . 1 . 2 . 3]" 1
40 1 126 PRO HA 1 127 PHE HA 5.500 . 5.500 4.500 4.489 4.517 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 109 LYS HA 1 110 ILE H 3.550 . 3.550 2.281 2.221 2.340 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 39 ASN HA 1 40 THR H 3.820 . 3.820 3.308 3.048 3.365 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 58 LYS QB 1 64 TYR QD 5.500 . 5.500 5.407 4.884 5.664 0.164 30 0 "[ . 1 . 2 . 3]" 1
44 1 106 LEU HA 1 106 LEU HG 4.020 . 4.020 3.512 3.492 3.548 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 56 TYR QB 1 106 LEU QB 5.300 . 5.300 3.675 3.196 4.459 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 95 ASP HA 1 96 GLU H 3.770 . 3.770 2.662 2.439 3.089 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 145 VAL HA 1 145 VAL HB 2.990 . 2.990 3.027 3.017 3.034 0.044 12 0 "[ . 1 . 2 . 3]" 1
48 1 70 ASN HA 1 97 ARG H 5.280 . 5.280 4.373 3.883 4.693 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 68 THR HA 1 98 THR HB 5.500 . 5.500 4.665 4.178 5.016 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 120 GLU HA 1 121 LYS H 3.700 . 3.700 2.681 2.416 2.967 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 86 ASN H 1 86 ASN QB 3.820 . 3.820 2.292 2.158 2.478 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 90 LYS QB 1 91 ASN HA 4.880 . 4.880 4.394 4.194 4.625 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 127 PHE QB 1 128 LYS H 5.240 . 5.240 3.641 2.623 3.955 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 56 TYR HA 1 57 ILE MG 5.210 . 5.210 2.950 2.833 3.107 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 145 VAL HA 1 146 ALA H 2.970 . 2.970 2.834 2.357 3.415 0.445 9 0 "[ . 1 . 2 . 3]" 1
56 1 112 GLY H 1 137 TYR QE 5.500 . 5.500 3.879 2.464 4.657 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 24 ASN H 1 25 ALA H 2.600 . 2.600 2.652 2.632 2.692 0.092 5 0 "[ . 1 . 2 . 3]" 1
58 1 88 ILE MG 1 89 SER HA 4.510 . 4.510 3.772 3.651 3.925 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 80 ILE QG 1 137 TYR QE 5.160 . 5.160 2.956 2.168 3.605 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 38 TYR QE 1 136 THR MG 3.780 . 3.780 3.808 3.781 3.840 0.060 27 0 "[ . 1 . 2 . 3]" 1
61 1 56 TYR HA 1 65 VAL HB 5.040 . 5.040 3.536 2.015 4.581 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 37 LYS QB 1 46 ALA MB 5.500 . 5.500 5.474 5.208 5.582 0.082 20 0 "[ . 1 . 2 . 3]" 1
63 1 30 THR MG 1 54 ALA HA 5.500 . 5.500 4.169 3.564 4.603 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 33 TYR QB 1 54 ALA MB 5.280 . 5.280 3.046 2.570 3.622 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 145 VAL QG 1 147 GLY H 4.780 . 4.780 3.900 2.451 4.773 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 121 LYS QE 1 126 PRO QG 5.020 . 5.020 3.902 2.326 5.028 0.008 4 0 "[ . 1 . 2 . 3]" 1
67 1 31 LEU QD 1 140 ASN H 4.980 . 4.980 2.148 1.814 2.915 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 50 PHE HA 1 51 ASN H 3.720 . 3.720 2.227 2.193 2.288 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 65 VAL H 1 101 PHE H 4.710 . 4.710 2.320 2.056 2.834 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 109 LYS QE 1 110 ILE MG 4.690 . 4.690 4.182 3.720 4.678 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 110 ILE HB 1 137 TYR QD 5.270 . 5.270 4.484 3.945 5.081 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 93 ALA H 1 93 ALA MB 3.350 . 3.350 2.031 1.911 2.145 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 35 VAL HA 1 36 TYR H 4.020 . 4.020 2.451 2.198 2.610 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 71 HIS H 1 96 GLU QG 5.150 . 5.150 3.320 2.572 3.942 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 134 ASN QB 1 135 ILE H 5.460 . 5.460 2.466 2.250 2.745 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 67 ILE MD 1 78 MET QB 5.080 . 5.080 5.057 4.857 5.127 0.047 2 0 "[ . 1 . 2 . 3]" 1
77 1 53 PRO QB 1 54 ALA H 3.720 . 3.720 2.214 2.193 2.264 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 56 TYR HA 1 57 ILE HB 5.020 . 5.020 4.607 4.515 4.686 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 30 THR MG 1 56 TYR H 4.760 . 4.760 4.585 3.785 4.806 0.046 17 0 "[ . 1 . 2 . 3]" 1
80 1 40 THR MG 1 41 ASN H 4.150 . 4.150 3.787 2.455 4.012 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 120 GLU QB 1 121 LYS QB 4.570 . 4.570 4.029 3.667 4.383 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 30 THR MG 1 55 LYS H 5.320 . 5.320 4.364 3.568 4.906 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 80 ILE MD 1 137 TYR QD 4.730 . 4.730 2.733 2.108 3.508 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 22 SER HA 1 25 ALA MB 4.920 . 4.920 3.873 2.053 4.897 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 74 TRP HA 1 75 ILE H 5.500 . 5.500 3.587 3.569 3.595 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 88 ILE HB 1 89 SER H 3.900 . 3.900 3.766 3.576 3.923 0.023 28 0 "[ . 1 . 2 . 3]" 1
87 1 106 LEU H 1 106 LEU QD 4.960 . 4.960 1.875 1.855 1.899 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 24 ASN H 1 25 ALA MB 4.800 . 4.800 4.264 4.096 4.572 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 110 ILE H 1 110 ILE MG 4.750 . 4.750 3.768 3.514 3.932 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 88 ILE MG 1 100 GLU QB 4.160 . 4.160 3.976 3.534 4.178 0.018 13 0 "[ . 1 . 2 . 3]" 1
91 1 58 LYS QG 1 105 LYS QE 3.580 . 3.580 3.632 3.243 3.797 0.217 6 0 "[ . 1 . 2 . 3]" 1
92 1 121 LYS QG 1 126 PRO QG 4.900 . 4.900 3.190 1.924 4.928 0.028 10 0 "[ . 1 . 2 . 3]" 1
93 1 69 VAL QG 1 70 ASN H 4.700 . 4.700 3.006 2.653 3.352 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 80 ILE MG 1 112 GLY QA 4.940 . 4.940 3.798 3.147 4.279 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 40 THR HB 1 42 ASP QB 4.670 . 4.670 4.427 4.204 4.744 0.074 11 0 "[ . 1 . 2 . 3]" 1
96 1 33 TYR HA 1 139 PHE HA 4.010 . 4.010 2.724 2.082 3.374 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 123 ASN QB 1 124 GLY QA 4.640 . 4.640 4.283 4.078 4.589 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 88 ILE H 1 98 THR MG 4.510 . 4.510 4.325 4.184 4.459 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 31 LEU QD 1 141 GLY QA 4.270 . 4.270 1.858 1.683 3.169 0.117 13 0 "[ . 1 . 2 . 3]" 1
100 1 74 TRP HA 1 118 ILE QG 5.500 . 5.500 1.926 1.825 2.096 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 103 VAL HA 1 104 SER H 3.690 . 3.690 2.412 2.253 2.756 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 90 LYS H 1 90 LYS QG 4.350 . 4.350 3.942 3.907 4.125 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 57 ILE H 1 65 VAL HA 4.200 . 4.200 3.375 3.200 3.618 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 52 LYS HA 1 53 PRO QD 5.500 . 5.500 4.026 4.012 4.043 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 34 GLU QG 1 35 VAL QG 5.140 . 5.140 3.094 2.658 4.076 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 76 THR MG 1 117 TYR HA 5.290 . 5.290 4.857 4.611 5.255 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 111 ASP QB 1 112 GLY H 4.540 . 4.540 3.442 3.037 3.735 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 57 ILE HA 1 58 LYS H 3.320 . 3.320 2.288 2.210 2.400 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 68 THR MG 1 97 ARG H 4.840 . 4.840 3.735 3.225 4.614 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 88 ILE MG 1 97 ARG HA 5.210 . 5.210 4.965 4.904 5.040 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 63 LEU QD 1 105 LYS H 3.820 . 3.820 2.056 1.693 3.585 0.107 27 0 "[ . 1 . 2 . 3]" 1
112 1 145 VAL H 1 145 VAL HB 3.520 . 3.520 3.556 3.440 3.627 0.107 20 0 "[ . 1 . 2 . 3]" 1
113 1 118 ILE HA 1 119 ASP HA 5.130 . 5.130 4.570 4.560 4.578 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 63 LEU HG 1 106 LEU HG 3.890 . 3.890 3.820 2.950 4.051 0.161 14 0 "[ . 1 . 2 . 3]" 1
115 1 54 ALA HA 1 68 THR HB 5.500 . 5.500 5.150 4.566 5.508 0.008 7 0 "[ . 1 . 2 . 3]" 1
116 1 115 ASP H 1 133 TYR H 5.080 . 5.080 4.943 4.578 5.117 0.037 1 0 "[ . 1 . 2 . 3]" 1
117 1 94 LYS H 1 95 ASP QB 5.500 . 5.500 4.909 4.583 5.327 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 64 TYR HA 1 102 GLU HA 4.490 . 4.490 2.614 2.071 3.134 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 74 TRP HA 1 118 ILE HA 5.500 . 5.500 4.420 3.968 4.761 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 28 SER H 1 58 LYS H 5.390 . 5.390 4.434 4.195 4.614 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 126 PRO QB 1 127 PHE HA 5.500 . 5.500 4.242 4.071 4.432 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 114 ILE MD 1 116 VAL HA 5.500 . 5.500 3.932 3.534 4.892 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 107 ASN H 1 140 ASN HA 5.500 . 5.500 5.269 4.893 5.533 0.033 2 0 "[ . 1 . 2 . 3]" 1
124 1 30 THR MG 1 31 LEU H 4.480 . 4.480 3.729 3.433 3.871 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 137 TYR HA 1 137 TYR QD 4.470 . 4.470 2.824 1.948 3.069 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 88 ILE HB 1 98 THR MG 4.260 . 4.260 3.741 3.589 3.996 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 125 LYS QB 1 125 LYS QE 2.550 . 2.550 2.191 1.803 2.549 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 35 VAL QG 1 135 ILE HA 5.500 . 5.500 5.221 3.692 5.556 0.056 8 0 "[ . 1 . 2 . 3]" 1
129 1 35 VAL QG 1 136 THR H 5.500 . 5.500 4.135 1.991 4.683 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 43 THR HB 1 47 ASN H 5.380 . 5.380 3.962 3.654 5.252 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 30 THR HB 1 31 LEU H 4.130 . 4.130 3.955 3.785 4.090 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 101 PHE H 1 101 PHE QD 4.420 . 4.420 3.311 2.674 3.815 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 46 ALA MB 1 47 ASN H 5.290 . 5.290 2.865 2.253 3.363 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 87 ILE MG 1 90 LYS QE 3.670 . 3.670 3.267 2.597 3.676 0.006 17 0 "[ . 1 . 2 . 3]" 1
135 1 106 LEU QD 1 142 PRO QB 4.910 . 4.910 3.532 2.886 4.213 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 117 TYR H 1 118 ILE H 5.490 . 5.490 3.901 3.741 4.080 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 88 ILE H 1 99 SER HA 4.360 . 4.360 2.641 2.301 3.255 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 30 THR HB 1 53 PRO QG 4.250 . 4.250 2.391 2.134 2.851 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 125 LYS H 1 125 LYS QG 4.250 . 4.250 3.706 3.039 3.974 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 35 VAL QG 1 137 TYR HA 5.220 . 5.220 2.053 1.783 2.708 0.017 11 0 "[ . 1 . 2 . 3]" 1
141 1 116 VAL QG 1 118 ILE MD 5.500 . 5.500 2.432 1.770 3.442 0.030 28 0 "[ . 1 . 2 . 3]" 1
142 1 77 GLY QA 1 78 MET H 3.700 . 3.700 2.312 2.297 2.322 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 113 LYS HA 1 114 ILE MG 4.460 . 4.460 2.902 2.791 2.975 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 30 THR HA 1 56 TYR H 4.640 . 4.640 3.183 2.367 3.386 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 114 ILE MD 1 116 VAL QG 5.500 . 5.500 2.092 1.778 3.062 0.022 4 0 "[ . 1 . 2 . 3]" 1
146 1 31 LEU QD 1 139 PHE QD 5.500 . 5.500 2.952 1.988 4.099 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 36 TYR QB 1 136 THR HB 4.110 . 4.110 2.058 1.906 2.923 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 116 VAL QG 1 117 TYR H 5.400 . 5.400 2.708 1.944 3.274 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 54 ALA MB 1 55 LYS H 3.640 . 3.640 2.465 2.042 2.658 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 91 ASN QB 1 97 ARG HA 5.500 . 5.500 3.722 3.297 4.235 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 88 ILE MG 1 98 THR MG 3.590 . 3.590 1.827 1.777 1.894 0.023 24 0 "[ . 1 . 2 . 3]" 1
152 1 116 VAL QG 1 133 TYR H 5.470 . 5.470 3.474 2.618 4.307 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 31 LEU QD 1 106 LEU QD 4.310 . 4.310 1.722 1.617 2.087 0.183 14 0 "[ . 1 . 2 . 3]" 1
154 1 30 THR MG 1 53 PRO QB 3.440 . 3.440 3.325 2.406 3.451 0.011 26 0 "[ . 1 . 2 . 3]" 1
155 1 96 GLU H 1 97 ARG H 4.600 . 4.600 4.414 4.103 4.554 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 80 ILE MG 1 81 GLU H 4.750 . 4.750 2.442 2.002 2.950 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 76 THR MG 1 115 ASP QB 4.770 . 4.770 1.743 1.699 1.885 0.101 25 0 "[ . 1 . 2 . 3]" 1
158 1 68 THR HA 1 98 THR MG 4.600 . 4.600 2.912 2.348 3.386 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 63 LEU QD 1 105 LYS HA 3.510 . 3.510 1.980 1.683 2.725 0.117 1 0 "[ . 1 . 2 . 3]" 1
160 1 56 TYR H 1 65 VAL QG 5.500 . 5.500 3.836 3.155 5.072 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 69 VAL HA 1 70 ASN H 3.880 . 3.880 2.242 2.212 2.306 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 90 LYS QG 1 98 THR H 5.320 . 5.320 4.642 4.187 4.857 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 91 ASN QB 1 94 LYS H 4.840 . 4.840 3.182 2.785 3.929 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 30 THR HA 1 55 LYS HA 3.470 . 3.470 2.073 1.934 2.370 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 37 LYS H 1 43 THR MG 5.500 . 5.500 3.723 3.348 4.726 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 37 LYS QB 1 40 THR MG 3.640 . 3.640 2.081 1.835 2.653 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 31 LEU QB 1 56 TYR QD 4.760 . 4.760 1.995 1.846 2.338 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 107 ASN QD 1 143 THR MG 4.810 . 4.810 2.881 2.035 3.986 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 67 ILE MG 1 69 VAL HA 4.960 . 4.960 3.796 3.640 4.153 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 30 THR HA 1 31 LEU H 3.430 . 3.430 2.237 2.198 2.262 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 29 GLY QA 1 30 THR MG 5.500 . 5.500 4.205 4.055 4.446 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 110 ILE MD 1 110 ILE MG 3.520 . 3.520 1.985 1.768 2.780 0.032 13 0 "[ . 1 . 2 . 3]" 1
173 1 68 THR MG 1 69 VAL H 4.740 . 4.740 2.763 2.445 3.135 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 80 ILE MD 1 101 PHE QD 4.300 . 4.300 2.755 2.187 3.277 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 26 ALA MB 1 28 SER QB 5.350 . 5.350 4.495 3.122 5.178 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 125 LYS QG 1 126 PRO QD 4.850 . 4.850 3.184 2.151 3.668 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 121 LYS HA 1 126 PRO QB 5.110 . 5.110 4.156 3.686 4.607 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 79 SER HA 1 85 GLU H 4.710 . 4.710 3.871 3.128 4.452 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 54 ALA HA 1 67 ILE MD 5.050 . 5.050 4.954 4.466 5.080 0.030 20 0 "[ . 1 . 2 . 3]" 1
180 1 86 ASN HA 1 87 ILE MG 5.080 . 5.080 3.688 3.507 3.807 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 117 TYR HA 1 118 ILE H 3.940 . 3.940 2.246 2.208 2.290 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 59 LYS QB 1 60 ASN QB 4.770 . 4.770 3.977 3.748 4.312 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 143 THR MG 1 144 ASP H 5.280 . 5.280 3.949 3.441 4.452 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 28 SER HA 1 56 TYR QE 4.820 . 4.820 4.090 3.660 4.369 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 118 ILE H 1 129 TYR QB 5.500 . 5.500 2.047 1.916 2.490 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 91 ASN QD 1 92 THR MG 5.500 . 5.500 5.294 4.666 5.523 0.023 4 0 "[ . 1 . 2 . 3]" 1
187 1 123 ASN QD 1 124 GLY H 4.330 . 4.330 4.288 4.045 4.355 0.025 12 0 "[ . 1 . 2 . 3]" 1
188 1 36 TYR QD 1 43 THR H 5.220 . 5.220 2.077 1.930 2.632 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 35 VAL QG 1 44 SER H 5.500 . 5.500 5.380 4.534 5.545 0.045 27 0 "[ . 1 . 2 . 3]" 1
190 1 128 LYS QG 1 129 TYR H 5.110 . 5.110 3.422 2.298 4.412 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 106 LEU QD 1 107 ASN H 5.500 . 5.500 3.580 3.335 3.808 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 57 ILE QG 1 58 LYS HA 5.500 . 5.500 3.422 3.337 3.606 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 92 THR MG 1 95 ASP HA 4.750 . 4.750 4.537 4.115 4.768 0.018 27 0 "[ . 1 . 2 . 3]" 1
194 1 63 LEU QD 1 106 LEU QD 3.800 . 3.800 2.776 1.905 3.764 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 144 ASP QB 1 145 VAL H 4.080 . 4.080 2.305 1.931 3.729 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 37 LYS QE 1 46 ALA H 5.500 . 5.500 4.405 3.577 4.743 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 81 GLU H 1 110 ILE MG 5.430 . 5.430 2.722 2.204 3.178 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 107 ASN QB 1 143 THR MG 3.580 . 3.580 2.177 1.786 3.155 0.014 17 0 "[ . 1 . 2 . 3]" 1
199 1 94 LYS QB 1 95 ASP H 4.950 . 4.950 3.546 3.185 3.688 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 57 ILE QG 1 57 ILE MG 3.190 . 3.190 2.242 2.179 2.302 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 38 TYR QD 1 39 ASN H 4.640 . 4.640 3.697 3.500 3.841 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 91 ASN QB 1 96 GLU HA 5.500 . 5.500 4.333 3.917 4.758 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 139 PHE HA 1 140 ASN QD 5.500 . 5.500 3.316 2.562 3.973 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 35 VAL HB 1 135 ILE MD 5.500 . 5.500 3.550 2.524 4.808 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 88 ILE MD 1 89 SER H 4.930 . 4.930 4.540 4.501 4.599 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 28 SER H 1 28 SER QB 3.660 . 3.660 2.842 2.718 2.977 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 86 ASN QD 1 87 ILE MG 5.020 . 5.020 4.683 3.729 5.040 0.020 1 0 "[ . 1 . 2 . 3]" 1
208 1 35 VAL QG 1 135 ILE MD 4.280 . 4.280 2.737 2.209 3.199 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 129 TYR HA 1 130 ASP H 4.140 . 4.140 2.225 2.211 2.276 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 102 GLU HA 1 103 VAL QG 5.190 . 5.190 3.260 3.069 3.603 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 65 VAL HB 1 66 GLN H 4.800 . 4.800 4.157 3.358 4.542 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 25 ALA H 1 26 ALA MB 5.130 . 5.130 4.363 3.281 5.164 0.034 13 0 "[ . 1 . 2 . 3]" 1
213 1 33 TYR QB 1 34 GLU H 4.190 . 4.190 2.869 2.625 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 142 PRO QB 1 143 THR H 3.660 . 3.660 2.535 1.920 3.456 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 68 THR MG 1 96 GLU QG 4.240 . 4.240 3.923 3.345 4.175 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 32 ASN HA 1 53 PRO HA 3.930 . 3.930 3.941 3.670 3.997 0.067 30 0 "[ . 1 . 2 . 3]" 1
217 1 42 ASP HA 1 43 THR H 3.500 . 3.500 2.240 2.173 2.492 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 81 GLU H 1 112 GLY QA 4.680 . 4.680 2.860 2.449 3.765 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 34 GLU QG 1 36 TYR QE 4.950 . 4.950 4.507 2.739 4.987 0.037 26 0 "[ . 1 . 2 . 3]" 1
220 1 69 VAL H 1 99 SER H 5.380 . 5.380 4.941 4.603 5.225 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 53 PRO HA 1 54 ALA HA 5.350 . 5.350 4.469 4.462 4.479 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 58 LYS QB 1 63 LEU QD 3.430 . 3.430 3.424 2.849 3.634 0.204 21 0 "[ . 1 . 2 . 3]" 1
223 1 118 ILE HA 1 119 ASP QB 5.500 . 5.500 4.407 4.242 4.499 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 38 TYR QB 1 38 TYR QE 4.510 . 4.510 3.986 3.978 3.992 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 31 LEU HA 1 56 TYR QD 4.800 . 4.800 3.463 2.268 4.057 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 25 ALA H 1 25 ALA MB 3.640 . 3.640 2.273 1.921 2.800 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 65 VAL HB 1 106 LEU QD 4.550 . 4.550 4.156 2.792 4.617 0.067 12 0 "[ . 1 . 2 . 3]" 1
228 1 81 GLU QG 1 110 ILE HB 5.500 . 5.500 5.046 4.309 5.540 0.040 19 0 "[ . 1 . 2 . 3]" 1
229 1 34 GLU QB 1 35 VAL QG 5.110 . 5.110 3.702 3.511 4.144 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 32 ASN H 1 32 ASN QB 3.690 . 3.690 2.056 1.957 2.364 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 88 ILE HB 1 98 THR HB 4.490 . 4.490 4.394 4.256 4.531 0.041 28 0 "[ . 1 . 2 . 3]" 1
232 1 30 THR MG 1 53 PRO QG 4.470 . 4.470 2.116 1.906 2.417 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 54 ALA MB 1 67 ILE HB 4.990 . 4.990 4.704 4.184 5.056 0.066 2 0 "[ . 1 . 2 . 3]" 1
234 1 136 THR MG 1 137 TYR HA 4.260 . 4.260 4.007 3.266 4.242 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 33 TYR HA 1 34 GLU H 3.570 . 3.570 2.382 2.308 2.510 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 80 ILE MG 1 110 ILE MG 3.800 . 3.800 2.659 1.896 3.511 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 40 THR H 1 40 THR MG 3.880 . 3.880 2.194 2.020 3.748 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 37 LYS HA 1 40 THR MG 5.500 . 5.500 3.911 3.696 4.991 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 93 ALA MB 1 95 ASP H 5.440 . 5.440 4.178 4.040 4.551 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 79 SER HA 1 84 LYS HA . . 3.800 2.900 1.949 3.304 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 121 LYS H 1 121 LYS QG 5.090 . 5.090 2.953 2.234 3.800 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 55 LYS QB 1 66 GLN QB 3.620 . 3.620 3.295 2.685 3.593 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 106 LEU QB 1 141 GLY H 5.310 . 5.310 4.342 3.512 5.033 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 35 VAL QG 1 137 TYR QE 5.500 . 5.500 3.108 2.157 3.805 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 67 ILE MG 1 69 VAL QG 4.250 . 4.250 2.314 1.949 3.002 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 30 THR HB 1 55 LYS HA 4.990 . 4.990 4.789 4.439 5.026 0.036 26 0 "[ . 1 . 2 . 3]" 1
247 1 58 LYS HA 1 63 LEU QD 4.000 . 4.000 3.921 3.628 4.212 0.212 15 0 "[ . 1 . 2 . 3]" 1
248 1 36 TYR HA 1 136 THR HB 4.610 . 4.610 4.303 4.068 4.514 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 56 TYR QB 1 65 VAL HA 5.070 . 5.070 3.741 3.609 4.037 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 117 TYR QD 1 130 ASP HA 4.890 . 4.890 3.357 2.128 3.943 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 125 LYS H 1 126 PRO QD 5.500 . 5.500 3.717 3.238 4.272 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 121 LYS QG 1 126 PRO QB 5.370 . 5.370 3.248 2.045 4.284 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 97 ARG HA 1 98 THR H 3.660 . 3.660 2.394 2.293 2.495 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 107 ASN QB 1 143 THR HA 4.070 . 4.070 2.978 2.082 3.749 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 133 TYR QB 1 134 ASN H 5.020 . 5.020 2.342 2.190 3.204 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 145 VAL QG 1 146 ALA H 4.230 . 4.230 3.597 1.891 3.755 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 125 LYS HA 1 126 PRO QB 5.050 . 5.050 4.649 4.573 4.782 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 37 LYS QE 1 46 ALA MB 4.580 . 4.580 4.470 3.987 4.623 0.043 17 0 "[ . 1 . 2 . 3]" 1
259 1 142 PRO QG 1 145 VAL QG 5.500 . 5.500 3.678 2.265 5.383 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 80 ILE H 1 101 PHE QD 4.930 . 4.930 3.529 2.333 4.572 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 118 ILE HA 1 119 ASP H 3.630 . 3.630 2.320 2.291 2.345 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 84 LYS H 1 84 LYS QE 5.500 . 5.500 4.694 3.109 5.522 0.022 7 0 "[ . 1 . 2 . 3]" 1
263 1 88 ILE HA 1 98 THR MG 5.470 . 5.470 5.429 5.353 5.465 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 106 LEU H 1 106 LEU HG 4.180 . 4.180 2.346 2.264 2.464 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 89 SER QB 1 98 THR H 5.010 . 5.010 3.829 3.412 4.743 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 31 LEU QD 1 106 LEU HG 5.100 . 5.100 3.736 3.502 4.317 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 63 LEU QD 1 105 LYS QE 3.910 . 3.910 2.173 1.740 3.308 0.060 9 0 "[ . 1 . 2 . 3]" 1
268 1 46 ALA H 1 47 ASN H 4.770 . 4.770 2.873 2.736 2.969 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 88 ILE HA 1 98 THR HB 5.500 . 5.500 5.508 5.377 5.555 0.055 26 0 "[ . 1 . 2 . 3]" 1
270 1 30 THR HB 1 53 PRO QD 5.500 . 5.500 4.212 3.908 4.739 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 114 ILE HB 1 135 ILE MG 5.350 . 5.350 5.169 4.472 5.387 0.037 16 0 "[ . 1 . 2 . 3]" 1
272 1 67 ILE HB 1 99 SER H 5.470 . 5.470 3.930 3.421 4.619 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 33 TYR HA 1 139 PHE QD 4.800 . 4.800 4.260 3.641 4.808 0.008 25 0 "[ . 1 . 2 . 3]" 1
274 1 57 ILE MG 1 64 TYR QB 4.040 . 4.040 2.152 1.788 2.597 0.012 7 0 "[ . 1 . 2 . 3]" 1
275 1 125 LYS HA 1 126 PRO HA 5.500 . 5.500 4.534 4.414 4.624 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 107 ASN HA 1 143 THR MG 5.020 . 5.020 4.401 3.565 5.015 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 55 LYS HA 1 56 TYR H 3.350 . 3.350 2.216 2.197 2.240 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 83 HIS HA 1 84 LYS H 3.200 . 3.200 2.382 2.298 2.428 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 88 ILE MG 1 89 SER H 3.700 . 3.700 1.916 1.897 1.967 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 124 GLY QA 1 125 LYS QG 4.470 . 4.470 4.077 3.359 4.492 0.022 19 0 "[ . 1 . 2 . 3]" 1
281 1 36 TYR HA 1 44 SER QB 5.500 . 5.500 5.571 5.443 5.621 0.121 25 0 "[ . 1 . 2 . 3]" 1
282 1 88 ILE MD 1 89 SER HA 5.500 . 5.500 5.567 5.550 5.612 0.112 29 0 "[ . 1 . 2 . 3]" 1
283 1 117 TYR HA 1 117 TYR QD 4.210 . 4.210 2.367 1.930 3.019 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 121 LYS QG 1 126 PRO HA 4.900 . 4.900 2.411 1.922 3.092 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 30 THR MG 1 55 LYS HA 3.780 . 3.780 2.993 2.110 3.233 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 90 LYS H 1 97 ARG HA 5.370 . 5.370 4.795 4.516 5.015 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 74 TRP HA 1 75 ILE MG 5.500 . 5.500 4.994 4.385 5.103 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 122 VAL QG 1 123 ASN HA 5.500 . 5.500 4.330 3.911 4.700 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 89 SER H 1 98 THR MG 4.310 . 4.310 4.306 4.171 4.361 0.051 25 0 "[ . 1 . 2 . 3]" 1
290 1 66 GLN QG 1 67 ILE H 5.420 . 5.420 3.886 3.404 4.318 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 86 ASN HA 1 100 GLU QB 5.430 . 5.430 5.365 4.929 5.465 0.035 5 0 "[ . 1 . 2 . 3]" 1
292 1 80 ILE HA 1 137 TYR QD 5.500 . 5.500 4.424 3.429 5.367 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 125 LYS H 1 125 LYS QB 3.870 . 3.870 2.544 2.508 2.645 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 67 ILE H 1 99 SER H 3.070 . 3.070 2.469 2.358 2.732 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 88 ILE QG 1 100 GLU QB 4.340 . 4.340 3.261 2.388 3.738 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 65 VAL HA 1 66 GLN H 3.480 . 3.480 2.262 2.195 2.456 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 144 ASP H 1 145 VAL QG 5.500 . 5.500 2.767 1.987 3.845 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 57 ILE QG 1 100 GLU QG 5.500 . 5.500 5.460 5.224 5.552 0.052 28 0 "[ . 1 . 2 . 3]" 1
299 1 31 LEU QB 1 56 TYR H 3.920 . 3.920 2.953 2.366 3.985 0.065 29 0 "[ . 1 . 2 . 3]" 1
300 1 121 LYS QB 1 121 LYS QE 3.130 . 3.130 2.677 1.990 3.174 0.044 26 0 "[ . 1 . 2 . 3]" 1
301 1 126 PRO QB 1 127 PHE H 4.660 . 4.660 3.468 3.249 3.661 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 32 ASN QB 1 33 TYR H 4.340 . 4.340 3.338 2.991 3.846 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 26 ALA MB 1 28 SER H 4.030 . 4.030 3.294 2.404 4.069 0.039 10 0 "[ . 1 . 2 . 3]" 1
304 1 83 HIS HA 1 83 HIS HD2 4.070 . 4.070 4.118 4.055 4.216 0.146 20 0 "[ . 1 . 2 . 3]" 1
305 1 89 SER QB 1 97 ARG HA 5.500 . 5.500 4.421 4.033 5.180 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 57 ILE HA 1 57 ILE MG 3.390 . 3.390 3.144 3.123 3.160 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 110 ILE HB 1 110 ILE MD 3.480 . 3.480 2.556 1.913 3.185 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 121 LYS QE 1 126 PRO QD 5.500 . 5.500 3.900 1.926 5.473 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 67 ILE HA 1 67 ILE MD 4.350 . 4.350 2.890 2.421 3.061 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 107 ASN HA 1 141 GLY H 4.580 . 4.580 2.408 2.123 2.928 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 30 THR HB 1 53 PRO QB 3.520 . 3.520 3.436 3.180 3.555 0.035 29 0 "[ . 1 . 2 . 3]" 1
312 1 31 LEU H 1 31 LEU QD 5.020 . 5.020 3.493 2.991 3.711 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 92 THR MG 1 95 ASP H 5.480 . 5.480 4.783 4.178 5.131 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 88 ILE MG 1 100 GLU H 4.960 . 4.960 3.896 3.333 4.141 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 69 VAL HB 1 70 ASN H 4.310 . 4.310 3.729 3.135 4.247 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 103 VAL HB 1 110 ILE MG 5.500 . 5.500 3.836 3.329 4.849 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 63 LEU QD 1 105 LYS QD 4.590 . 4.590 3.066 1.876 3.868 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 68 THR H 1 68 THR HB 4.030 . 4.030 2.241 2.019 2.692 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 80 ILE MD 1 101 PHE H 5.500 . 5.500 5.072 4.453 5.395 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 37 LYS H 1 136 THR HB 4.840 . 4.840 4.898 4.841 4.952 0.112 26 0 "[ . 1 . 2 . 3]" 1
321 1 103 VAL H 1 103 VAL QG 3.980 . 3.980 2.034 1.905 2.193 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 123 ASN HA 1 124 GLY H 4.130 . 4.130 2.930 2.732 3.065 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 38 TYR HA 1 38 TYR QD 3.990 . 3.990 2.113 1.990 2.316 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 30 THR H 1 30 THR MG 3.930 . 3.930 3.257 3.113 3.926 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 106 LEU QB 1 140 ASN HA 5.500 . 5.500 5.133 4.516 5.526 0.026 22 0 "[ . 1 . 2 . 3]" 1
326 1 111 ASP HA 1 112 GLY QA 5.500 . 5.500 3.997 3.976 4.044 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 80 ILE H 1 80 ILE MD 5.500 . 5.500 4.351 3.818 4.752 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 88 ILE MD 1 100 GLU QB 3.240 . 3.240 2.803 2.436 3.244 0.004 3 0 "[ . 1 . 2 . 3]" 1
329 1 103 VAL H 1 105 LYS H 5.190 . 5.190 5.102 4.787 5.258 0.068 5 0 "[ . 1 . 2 . 3]" 1
330 1 69 VAL H 1 96 GLU QG 5.500 . 5.500 5.312 5.004 5.517 0.017 29 0 "[ . 1 . 2 . 3]" 1
331 1 120 GLU QB 1 122 VAL QG 5.110 . 5.110 4.471 3.609 5.058 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 67 ILE H 1 67 ILE HB 3.820 . 3.820 2.321 2.185 2.591 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 80 ILE HB 1 101 PHE HA 5.500 . 5.500 4.477 3.962 4.896 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 88 ILE MD 1 99 SER HA 4.870 . 4.870 4.209 3.856 4.466 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 28 SER QB 1 57 ILE MD 3.710 . 3.710 3.002 2.715 3.337 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 89 SER QB 1 98 THR MG 4.590 . 4.590 3.574 3.114 4.277 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 137 TYR HA 1 138 LYS QG 5.500 . 5.500 4.998 4.163 5.585 0.085 23 0 "[ . 1 . 2 . 3]" 1
338 1 46 ALA MB 1 135 ILE HB 5.500 . 5.500 3.384 3.064 3.906 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 89 SER H 1 98 THR HB 3.870 . 3.870 3.106 2.943 3.197 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 143 THR HA 1 144 ASP HA 4.760 . 4.760 4.619 4.506 4.734 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 92 THR MG 1 93 ALA H 5.220 . 5.220 3.969 2.959 4.290 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 35 VAL QG 1 137 TYR QD 4.580 . 4.580 2.815 1.895 3.453 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 67 ILE MG 1 68 THR HB 5.500 . 5.500 4.489 3.744 5.072 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 31 LEU QD 1 139 PHE QB 4.210 . 4.210 2.776 1.762 3.653 0.038 23 0 "[ . 1 . 2 . 3]" 1
345 1 136 THR HA 1 137 TYR QB 5.200 . 5.200 4.162 3.927 4.267 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 142 PRO HA 1 143 THR MG 5.500 . 5.500 4.141 3.118 5.416 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 87 ILE HA 1 88 ILE H 4.190 . 4.190 2.253 2.239 2.273 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 109 LYS H 1 136 THR MG 5.500 . 5.500 5.577 5.462 5.660 0.160 20 0 "[ . 1 . 2 . 3]" 1
349 1 29 GLY H 1 30 THR MG 5.500 . 5.500 5.382 5.141 5.525 0.025 3 0 "[ . 1 . 2 . 3]" 1
350 1 33 TYR QB 1 35 VAL QG 5.190 . 5.190 4.903 4.724 5.119 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 34 GLU H 1 139 PHE HA 4.970 . 4.970 3.768 3.224 4.318 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 89 SER H 1 97 ARG HA 4.620 . 4.620 4.708 4.599 4.762 0.142 23 0 "[ . 1 . 2 . 3]" 1
353 1 36 TYR HA 1 44 SER H 4.580 . 4.580 4.299 4.091 4.512 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 58 LYS QB 1 64 TYR H 5.110 . 5.110 4.781 4.172 5.144 0.034 3 0 "[ . 1 . 2 . 3]" 1
355 1 77 GLY H 1 114 ILE QG 5.050 . 5.050 3.241 2.967 3.420 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 30 THR HA 1 55 LYS QB 5.490 . 5.490 4.109 3.903 4.445 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 79 SER HA 1 84 LYS QG 4.830 . 4.830 4.433 3.412 4.859 0.029 5 0 "[ . 1 . 2 . 3]" 1
358 1 36 TYR QE 1 138 LYS QG 5.430 . 5.430 2.661 1.928 4.471 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 108 GLY H 1 138 LYS HA 4.950 . 4.950 4.346 3.988 4.788 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 68 THR HA 1 69 VAL QG 5.240 . 5.240 3.158 3.015 3.396 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 79 SER QB 1 80 ILE H 4.340 . 4.340 3.216 2.629 3.745 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 54 ALA MB 1 67 ILE MD 3.590 . 3.590 2.887 2.522 3.056 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 79 SER H 1 113 LYS H 3.070 . 3.070 3.124 3.014 3.229 0.159 24 0 "[ . 1 . 2 . 3]" 1
364 1 87 ILE H 1 87 ILE HB 3.560 . 3.560 3.535 3.529 3.544 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 70 ASN HA 1 96 GLU QG 4.500 . 4.500 2.919 2.299 3.336 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 137 TYR H 1 137 TYR QD 4.140 . 4.140 2.696 2.069 3.750 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 67 ILE MD 1 80 ILE MD 4.090 . 4.090 2.791 2.210 3.687 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 91 ASN H 1 97 ARG HA 4.200 . 4.200 2.807 2.321 3.395 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 30 THR H 1 31 LEU H 4.530 . 4.530 4.344 3.960 4.468 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 80 ILE MD 1 103 VAL QG 4.980 . 4.980 3.682 2.538 4.768 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 76 THR HA 1 115 ASP QB 5.450 . 5.450 5.218 5.134 5.483 0.033 30 0 "[ . 1 . 2 . 3]" 1
372 1 75 ILE MG 1 76 THR H 4.220 . 4.220 4.026 3.934 4.171 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 76 THR HA 1 76 THR MG 3.440 . 3.440 3.134 3.090 3.176 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 144 ASP H 1 144 ASP QB 3.230 . 3.230 2.558 1.994 3.217 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 123 ASN QB 1 124 GLY H 5.460 . 5.460 3.805 3.681 3.951 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 107 ASN QD 1 140 ASN QB 5.500 . 5.500 4.355 3.483 5.438 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 65 VAL QG 1 66 GLN H 4.740 . 4.740 2.592 2.102 2.998 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 46 ALA MB 1 135 ILE MD 5.500 . 5.500 2.137 1.794 2.906 0.006 2 0 "[ . 1 . 2 . 3]" 1
379 1 57 ILE MG 1 65 VAL HA 4.450 . 4.450 2.741 2.608 2.859 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 69 VAL QG 1 75 ILE MG 5.360 . 5.360 2.034 1.720 4.049 0.080 27 0 "[ . 1 . 2 . 3]" 1
381 1 67 ILE QG 1 78 MET QB 5.110 . 5.110 5.114 4.985 5.147 0.037 20 0 "[ . 1 . 2 . 3]" 1
382 1 90 LYS QG 1 97 ARG HA 4.580 . 4.580 3.745 3.361 3.952 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 56 TYR QD 1 57 ILE HA 4.850 . 4.850 3.500 2.988 4.048 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 63 LEU HG 1 106 LEU QD 5.260 . 5.260 3.756 3.427 4.266 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 35 VAL HB 1 136 THR HB 4.830 . 4.830 4.868 4.725 4.924 0.094 20 0 "[ . 1 . 2 . 3]" 1
386 1 92 THR HA 1 95 ASP H 4.110 . 4.110 3.284 2.930 3.482 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 86 ASN QB 1 100 GLU QB 4.870 . 4.870 2.696 2.267 2.848 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 31 LEU H 1 55 LYS HA 4.300 . 4.300 2.841 2.163 3.528 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 63 LEU QD 1 106 LEU QB 5.500 . 5.500 3.519 2.933 4.304 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 105 LYS QG 1 142 PRO QB 4.870 . 4.870 4.816 3.623 4.929 0.059 25 0 "[ . 1 . 2 . 3]" 1
391 1 37 LYS QB 1 44 SER QB 3.130 . 3.130 2.228 2.011 2.606 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 74 TRP HA 1 118 ILE MD 5.500 . 5.500 2.109 1.871 2.766 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 114 ILE MG 1 133 TYR HA 5.500 . 5.500 4.515 3.881 4.906 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 63 LEU HA 1 63 LEU QD 3.650 . 3.650 3.169 2.999 3.344 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 139 PHE HA 1 139 PHE QD 4.060 . 4.060 2.339 1.932 2.762 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 36 TYR HA 1 136 THR MG 5.500 . 5.500 5.173 4.646 5.404 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 83 HIS HA 1 84 LYS QG 5.500 . 5.500 4.991 4.333 5.505 0.005 11 0 "[ . 1 . 2 . 3]" 1
398 1 78 MET HA 1 114 ILE HB 5.310 . 5.310 2.449 2.185 2.734 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 58 LYS HA 1 59 LYS H 3.460 . 3.460 2.338 2.189 2.508 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 69 VAL QG 1 98 THR HA 5.500 . 5.500 2.397 2.169 2.564 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 33 TYR QD 1 54 ALA MB 4.060 . 4.060 2.646 1.935 3.116 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 42 ASP HA 1 43 THR MG 5.500 . 5.500 4.822 4.010 5.216 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 106 LEU QD 1 142 PRO QD 5.500 . 5.500 1.811 1.716 2.050 0.084 10 0 "[ . 1 . 2 . 3]" 1
404 1 75 ILE H 1 75 ILE MG 4.380 . 4.380 1.919 1.878 2.190 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 54 ALA MB 1 67 ILE HA 4.040 . 4.040 3.036 2.712 3.317 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 80 ILE HA 1 81 GLU H 4.170 . 4.170 2.267 2.192 2.369 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 37 LYS QE 1 135 ILE MD 5.500 . 5.500 5.476 5.241 5.559 0.059 19 0 "[ . 1 . 2 . 3]" 1
408 1 114 ILE QG 1 133 TYR QB 5.070 . 5.070 4.346 2.759 5.056 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 146 ALA H 1 147 GLY QA 5.500 . 5.500 4.521 3.738 5.319 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 58 LYS QB 1 63 LEU HA 4.740 . 4.740 3.246 2.520 3.679 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 36 TYR QB 1 136 THR MG 4.890 . 4.890 2.653 2.370 2.883 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 114 ILE MG 1 116 VAL QG 5.500 . 5.500 3.726 3.453 4.074 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 146 ALA MB 1 147 GLY H 4.510 . 4.510 3.364 2.312 3.736 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 37 LYS QG 1 44 SER QB 4.490 . 4.490 2.759 1.869 3.539 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 109 LYS QE 1 110 ILE MD 5.210 . 5.210 4.823 3.964 5.253 0.043 28 0 "[ . 1 . 2 . 3]" 1
416 1 65 VAL QG 1 106 LEU QD 4.190 . 4.190 2.707 1.734 3.856 0.066 6 0 "[ . 1 . 2 . 3]" 1
417 1 146 ALA H 1 147 GLY H 5.270 . 5.270 3.179 1.951 4.565 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 33 TYR QD 1 137 TYR HA 5.500 . 5.500 4.897 3.921 5.530 0.030 11 0 "[ . 1 . 2 . 3]" 1
419 1 36 TYR H 1 136 THR H 5.100 . 5.100 3.101 2.727 3.936 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 91 ASN QB 1 97 ARG H 5.500 . 5.500 4.428 3.862 4.996 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 106 LEU QD 1 142 PRO QG 5.120 . 5.120 2.155 1.811 3.093 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 89 SER HA 1 90 LYS H 2.990 . 2.990 2.269 2.232 2.308 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 65 VAL QG 1 101 PHE H 4.870 . 4.870 3.069 2.456 3.683 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 79 SER HA 1 80 ILE H 3.830 . 3.830 2.343 2.211 2.523 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 76 THR MG 1 116 VAL HA 5.500 . 5.500 2.917 2.767 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 81 GLU HA 1 110 ILE MG 4.330 . 4.330 2.961 2.373 3.479 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 84 LYS QG 1 85 GLU QB 5.170 . 5.170 4.722 4.038 5.199 0.029 25 0 "[ . 1 . 2 . 3]" 1
428 1 43 THR MG 1 46 ALA MB 4.450 . 4.450 3.545 2.960 4.602 0.152 25 0 "[ . 1 . 2 . 3]" 1
429 1 90 LYS HA 1 90 LYS QE 5.010 . 5.010 4.233 3.975 4.425 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 66 GLN QG 1 100 GLU HA 5.500 . 5.500 4.966 4.502 5.270 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 40 THR HB 1 42 ASP H 4.030 . 4.030 3.591 2.704 3.860 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 144 ASP H 1 144 ASP HA 2.930 . 2.930 2.966 2.868 2.997 0.067 29 0 "[ . 1 . 2 . 3]" 1
433 1 87 ILE MD 1 90 LYS QE 3.880 . 3.880 3.794 3.427 3.922 0.042 20 0 "[ . 1 . 2 . 3]" 1
434 1 105 LYS QD 1 142 PRO QB 3.430 . 3.430 3.256 2.974 3.495 0.065 15 0 "[ . 1 . 2 . 3]" 1
435 1 30 THR H 1 30 THR HB 3.770 . 3.770 3.277 3.172 3.363 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 88 ILE QG 1 89 SER HA 5.170 . 5.170 4.835 4.585 5.116 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 83 HIS QB 1 84 LYS H 4.290 . 4.290 2.784 2.604 2.923 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 43 THR MG 1 47 ASN QB 3.930 . 3.930 1.802 1.694 2.017 0.106 13 0 "[ . 1 . 2 . 3]" 1
439 1 58 LYS HA 1 62 LYS H 5.360 . 5.360 4.433 4.286 4.507 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 102 GLU HA 1 103 VAL H 3.450 . 3.450 2.232 2.214 2.256 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 36 TYR QE 1 43 THR MG 5.410 . 5.410 4.311 2.958 4.971 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 110 ILE H 1 110 ILE HB 3.900 . 3.900 2.567 2.326 2.844 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 91 ASN H 1 96 GLU H 4.840 . 4.840 3.597 3.111 4.133 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 57 ILE MG 1 64 TYR H 5.060 . 5.060 2.201 1.980 2.554 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 78 MET QB 1 99 SER QB 4.720 . 4.720 4.286 3.829 4.725 0.005 21 0 "[ . 1 . 2 . 3]" 1
446 1 68 THR HB 1 98 THR HA 5.500 . 5.500 5.542 5.502 5.581 0.081 9 0 "[ . 1 . 2 . 3]" 1
447 1 114 ILE MG 1 135 ILE MG 4.290 . 4.290 2.912 2.369 3.234 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 39 ASN QB 1 40 THR MG 4.430 . 4.430 2.457 2.314 4.085 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 67 ILE MG 1 78 MET QB 4.440 . 4.440 3.662 3.316 4.339 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 78 MET QB 1 114 ILE HA 5.020 . 5.020 4.126 3.708 4.341 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 120 GLU QB 1 121 LYS H 3.590 . 3.590 2.166 1.914 2.663 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 76 THR HB 1 114 ILE QG 5.500 . 5.500 5.578 5.536 5.619 0.119 30 0 "[ . 1 . 2 . 3]" 1
453 1 40 THR HA 1 40 THR MG 3.220 . 3.220 2.785 2.139 2.908 . 0 0 "[ . 1 . 2 . 3]" 1
454 1 31 LEU HA 1 141 GLY QA 5.500 . 5.500 4.308 3.646 4.705 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 121 LYS QG 1 127 PHE H 5.380 . 5.380 4.008 3.565 4.462 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 112 GLY QA 1 137 TYR QE 4.440 . 4.440 2.369 1.931 3.164 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 31 LEU QD 1 140 ASN QB 5.500 . 5.500 3.394 3.140 3.610 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 123 ASN HA 1 124 GLY QA 4.630 . 4.630 4.098 4.057 4.138 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 106 LEU QB 1 107 ASN H 4.770 . 4.770 3.973 3.873 4.025 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 108 GLY H 1 139 PHE H 3.880 . 3.880 2.891 2.452 3.457 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 67 ILE HA 1 67 ILE QG 3.930 . 3.930 2.034 1.936 2.398 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 67 ILE H 1 67 ILE MD 5.500 . 5.500 3.568 2.162 4.320 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 143 THR H 1 143 THR MG 3.710 . 3.710 3.416 1.982 3.790 0.080 16 0 "[ . 1 . 2 . 3]" 1
464 1 35 VAL QG 1 46 ALA MB 4.530 . 4.530 2.600 1.844 3.132 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 69 VAL H 1 98 THR HA 4.870 . 4.870 2.920 2.634 3.211 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 36 TYR QB 1 37 LYS H 4.480 . 4.480 2.719 2.475 2.977 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 80 ILE MD 1 110 ILE MD 5.390 . 5.390 4.900 3.950 5.407 0.017 25 0 "[ . 1 . 2 . 3]" 1
468 1 80 ILE MD 1 101 PHE QB 5.080 . 5.080 2.478 1.969 3.006 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 108 GLY H 1 138 LYS QB 5.500 . 5.500 5.387 5.065 5.546 0.046 13 0 "[ . 1 . 2 . 3]" 1
470 1 133 TYR H 1 133 TYR QD 4.440 . 4.440 3.417 1.933 4.008 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 114 ILE MG 1 135 ILE MD 4.730 . 4.730 2.113 1.785 2.454 0.015 29 0 "[ . 1 . 2 . 3]" 1
472 1 35 VAL QG 1 138 LYS H 5.500 . 5.500 3.038 2.508 3.887 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 80 ILE HB 1 82 GLY H 5.500 . 5.500 5.196 5.019 5.333 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 137 TYR QB 1 138 LYS H 5.400 . 5.400 3.194 2.575 3.820 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 66 GLN QG 1 88 ILE MD 4.660 . 4.660 4.044 3.315 4.513 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 80 ILE HA 1 137 TYR QE 5.500 . 5.500 4.366 3.481 5.508 0.008 21 0 "[ . 1 . 2 . 3]" 1
477 1 31 LEU HG 1 32 ASN H 5.430 . 5.430 2.333 1.929 4.402 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 87 ILE H 1 87 ILE MG 3.970 . 3.970 2.157 1.988 2.296 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 118 ILE MG 1 129 TYR QD 5.160 . 5.160 4.489 3.948 4.763 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 109 LYS QE 1 110 ILE HA 4.980 . 4.980 2.553 1.997 3.110 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 111 ASP H 1 111 ASP QB 3.860 . 3.860 2.251 2.064 2.511 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 88 ILE MG 1 98 THR HB 5.000 . 5.000 1.860 1.825 1.888 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 58 LYS H 1 64 TYR QD 4.800 . 4.800 4.851 4.700 4.962 0.162 27 0 "[ . 1 . 2 . 3]" 1
484 1 66 GLN HA 1 100 GLU QB 5.500 . 5.500 3.983 3.550 4.469 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 135 ILE H 1 135 ILE MD 4.990 . 4.990 3.881 3.829 3.942 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 67 ILE HB 1 68 THR H 5.460 . 5.460 4.443 4.145 4.529 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 91 ASN QB 1 96 GLU QB 4.200 . 4.200 2.197 1.881 2.812 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 63 LEU QD 1 104 SER HA 5.500 . 5.500 2.927 2.565 3.387 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 90 LYS HA 1 91 ASN H 3.130 . 3.130 2.274 2.232 2.338 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 136 THR H 1 136 THR MG 4.770 . 4.770 3.729 3.661 3.752 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 120 GLU HA 1 120 GLU QG 3.420 . 3.420 3.289 3.229 3.317 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 33 TYR QD 1 137 TYR QD 4.860 . 4.860 3.816 3.157 4.557 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 88 ILE MG 1 98 THR H 5.200 . 5.200 3.125 3.070 3.193 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 66 GLN HA 1 100 GLU QG 5.500 . 5.500 3.585 2.819 4.227 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 70 ASN HA 1 71 HIS H 4.260 . 4.260 2.248 2.208 2.354 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 83 HIS H 1 84 LYS H 5.240 . 5.240 4.479 4.462 4.499 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 79 SER QB 1 83 HIS H 4.750 . 4.750 3.983 3.173 4.785 0.035 20 0 "[ . 1 . 2 . 3]" 1
498 1 100 GLU HA 1 101 PHE HA 5.500 . 5.500 4.503 4.486 4.511 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 29 GLY H 1 57 ILE MD 5.500 . 5.500 5.486 5.293 5.580 0.080 26 0 "[ . 1 . 2 . 3]" 1
500 1 31 LEU QD 1 142 PRO QD 4.280 . 4.280 2.276 1.757 3.836 0.043 15 0 "[ . 1 . 2 . 3]" 1
501 1 87 ILE HB 1 87 ILE MD 3.400 . 3.400 2.046 1.900 2.638 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 32 ASN H 1 33 TYR QD 5.500 . 5.500 5.479 5.191 5.671 0.171 20 0 "[ . 1 . 2 . 3]" 1
503 1 70 ASN QB 1 71 HIS H 4.670 . 4.670 3.370 2.927 3.837 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 144 ASP QB 1 145 VAL QG 5.500 . 5.500 3.724 2.310 4.346 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 145 VAL HB 1 146 ALA H 4.290 . 4.290 4.074 1.925 4.408 0.118 14 0 "[ . 1 . 2 . 3]" 1
506 1 105 LYS QD 1 143 THR MG 4.990 . 4.990 4.312 3.591 5.010 0.020 14 0 "[ . 1 . 2 . 3]" 1
507 1 84 LYS H 1 84 LYS QG 3.910 . 3.910 3.423 2.890 3.798 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 30 THR MG 1 54 ALA MB 4.930 . 4.930 4.692 3.945 4.928 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 31 LEU QD 1 106 LEU HA 4.780 . 4.780 4.179 3.464 4.853 0.073 26 0 "[ . 1 . 2 . 3]" 1
510 1 80 ILE MG 1 83 HIS HD2 4.720 . 4.720 4.020 3.111 4.715 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 60 ASN H 1 61 GLY QA 5.500 . 5.500 5.135 5.054 5.198 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 67 ILE H 1 100 GLU HA 5.170 . 5.170 3.745 3.479 4.139 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 59 LYS HA 1 60 ASN H 2.950 . 2.950 2.616 2.586 2.628 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 80 ILE MG 1 82 GLY H 5.500 . 5.500 4.153 4.053 4.307 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 67 ILE H 1 101 PHE QD 5.500 . 5.500 3.642 3.139 4.224 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 139 PHE HA 1 140 ASN H 3.530 . 3.530 2.311 2.228 2.390 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 81 GLU QB 1 110 ILE MG 3.770 . 3.770 3.516 3.071 3.815 0.045 12 0 "[ . 1 . 2 . 3]" 1
518 1 80 ILE HB 1 81 GLU QB 4.620 . 4.620 4.086 3.738 4.454 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 35 VAL QG 1 135 ILE HB 4.330 . 4.330 3.267 1.916 3.783 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 56 TYR H 1 56 TYR QD 4.110 . 4.110 2.023 1.915 2.236 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 105 LYS QB 1 107 ASN H 3.800 . 3.800 3.309 2.934 3.816 0.016 27 0 "[ . 1 . 2 . 3]" 1
522 1 38 TYR QD 1 134 ASN QD 5.020 . 5.020 2.833 1.987 3.768 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 138 LYS QB 1 139 PHE H 4.570 . 4.570 3.729 2.799 3.924 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 92 THR HA 1 92 THR MG 3.360 . 3.360 2.225 1.939 2.671 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 97 ARG QB 1 98 THR H 4.110 . 4.110 3.134 2.581 3.460 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 111 ASP HA 1 136 THR MG 4.720 . 4.720 4.143 3.564 4.755 0.035 23 0 "[ . 1 . 2 . 3]" 1
527 1 121 LYS QG 1 126 PRO QD 5.500 . 5.500 3.023 2.160 4.406 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 31 LEU QD 1 139 PHE HA 5.300 . 5.300 3.215 2.050 4.572 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 67 ILE MD 1 101 PHE QE 4.700 . 4.700 3.118 2.305 4.083 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 36 TYR HA 1 43 THR HB 4.510 . 4.510 4.079 2.365 4.553 0.043 6 0 "[ . 1 . 2 . 3]" 1
531 1 29 GLY QA 1 56 TYR QE 4.380 . 4.380 2.511 2.119 2.841 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 105 LYS HA 1 105 LYS QE 4.200 . 4.200 2.242 1.903 3.138 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 145 VAL QG 1 146 ALA MB 4.720 . 4.720 4.216 2.243 4.543 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 84 LYS HA 1 84 LYS QG 3.570 . 3.570 2.024 1.921 2.308 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 88 ILE HA 1 88 ILE MD 4.000 . 4.000 3.767 3.707 3.816 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 103 VAL QG 1 106 LEU HA 4.750 . 4.750 3.253 2.860 3.779 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 58 LYS QG 1 106 LEU QD 5.500 . 5.500 3.186 2.759 3.746 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 35 VAL HA 1 138 LYS H 4.810 . 4.810 3.088 2.184 3.787 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 64 TYR H 1 64 TYR QD 5.500 . 5.500 2.322 2.199 2.539 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 33 TYR HA 1 33 TYR QD 4.470 . 4.470 3.612 3.481 3.653 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 29 GLY QA 1 56 TYR H 5.500 . 5.500 4.327 4.068 4.560 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 77 GLY QA 1 114 ILE HA 5.470 . 5.470 4.626 4.242 5.136 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 66 GLN QB 1 67 ILE H 4.630 . 4.630 3.260 3.024 3.390 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 40 THR HA 1 41 ASN H 3.780 . 3.780 2.781 2.600 2.893 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 91 ASN QD 1 94 LYS QB 5.420 . 5.420 3.146 2.424 4.151 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 83 HIS H 1 83 HIS QB 3.610 . 3.610 2.922 2.762 3.156 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 53 PRO QG 1 54 ALA H 4.980 . 4.980 3.877 3.852 3.932 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 96 GLU HA 1 97 ARG H 3.950 . 3.950 2.457 2.200 2.626 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 138 LYS HA 1 138 LYS QG 3.980 . 3.980 2.051 1.918 2.735 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 88 ILE HA 1 100 GLU QB 5.430 . 5.430 4.879 4.406 5.212 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 34 GLU QG 1 47 ASN QB 4.720 . 4.720 4.179 3.687 4.714 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 78 MET QB 1 79 SER H 4.700 . 4.700 3.005 2.439 3.814 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 76 THR MG 1 114 ILE HA 5.500 . 5.500 4.893 4.541 5.103 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 118 ILE MG 1 120 GLU HA 5.110 . 5.110 5.188 5.133 5.274 0.164 18 0 "[ . 1 . 2 . 3]" 1
555 1 66 GLN HA 1 67 ILE HB 5.140 . 5.140 4.069 3.968 4.425 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 69 VAL HB 1 75 ILE MG 5.060 . 5.060 3.148 2.036 4.034 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 31 LEU QD 1 56 TYR QB 4.470 . 4.470 2.473 1.744 3.179 0.056 29 0 "[ . 1 . 2 . 3]" 1
558 1 80 ILE MG 1 101 PHE QB 4.250 . 4.250 2.408 1.939 2.986 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 101 PHE HA 1 102 GLU H 3.730 . 3.730 2.259 2.208 2.339 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 109 LYS H 1 110 ILE MD 5.500 . 5.500 5.030 3.950 5.527 0.027 5 0 "[ . 1 . 2 . 3]" 1
561 1 40 THR HA 1 40 THR HB 2.960 . 2.960 2.296 2.262 2.884 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 35 VAL HA 1 137 TYR HA 4.420 . 4.420 2.759 2.220 3.400 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 115 ASP HA 1 133 TYR QD 4.850 . 4.850 4.424 3.690 4.821 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 126 PRO HA 1 127 PHE H 3.800 . 3.800 2.225 2.207 2.246 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 111 ASP HA 1 136 THR HA 4.070 . 4.070 3.317 2.647 3.763 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 88 ILE MG 1 99 SER HA 4.160 . 4.160 2.960 2.604 3.294 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 96 GLU QB 1 97 ARG H 4.270 . 4.270 2.573 2.153 3.533 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 110 ILE H 1 110 ILE MD 5.500 . 5.500 4.029 3.128 4.462 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 109 LYS HA 1 138 LYS HA 3.840 . 3.840 1.982 1.918 2.211 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 103 VAL HA 1 104 SER HA 5.340 . 5.340 4.442 4.415 4.481 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 37 LYS H 1 44 SER QB 4.680 . 4.680 4.059 3.968 4.207 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 138 LYS HA 1 139 PHE H 3.650 . 3.650 2.272 2.209 2.395 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 53 PRO QG 1 54 ALA MB 5.500 . 5.500 5.084 5.046 5.130 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 110 ILE QG 1 139 PHE H 5.160 . 5.160 4.446 3.145 5.176 0.016 17 0 "[ . 1 . 2 . 3]" 1
575 1 88 ILE HA 1 88 ILE MG 3.260 . 3.260 3.159 3.112 3.181 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 81 GLU QG 1 110 ILE HA 5.500 . 5.500 5.454 4.950 5.570 0.070 22 0 "[ . 1 . 2 . 3]" 1
577 1 36 TYR QD 1 37 LYS H 4.920 . 4.920 3.352 2.906 3.816 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 36 TYR QD 1 44 SER H 5.500 . 5.500 5.477 5.116 5.616 0.116 11 0 "[ . 1 . 2 . 3]" 1
579 1 30 THR HB 1 54 ALA H 5.500 . 5.500 5.311 5.106 5.445 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 131 HIS HA 1 132 HIS H 4.150 . 4.150 2.728 2.574 2.831 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 89 SER QB 1 98 THR HB 4.150 . 4.150 2.506 1.945 3.627 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 31 LEU QD 1 107 ASN HA 5.500 . 5.500 4.083 3.680 4.579 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 101 PHE QB 1 102 GLU H 4.860 . 4.860 3.071 2.804 3.362 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 125 LYS HA 1 126 PRO QG 4.700 . 4.700 3.880 3.783 3.957 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 66 GLN HA 1 100 GLU HA 5.390 . 5.390 2.163 1.941 2.487 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 112 GLY H 1 136 THR MG 5.500 . 5.500 4.934 4.471 5.433 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 63 LEU HA 1 64 TYR H 3.650 . 3.650 2.237 2.168 2.293 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 38 TYR QE 1 135 ILE HA 5.020 . 5.020 4.072 3.529 4.756 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 88 ILE QG 1 98 THR HB 5.070 . 5.070 4.703 4.336 4.861 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 53 PRO HA 1 54 ALA H 3.580 . 3.580 2.639 2.617 2.657 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 70 ASN HA 1 71 HIS HA 5.500 . 5.500 4.526 4.503 4.574 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 76 THR MG 1 114 ILE MD 4.520 . 4.520 4.333 4.117 4.656 0.136 28 0 "[ . 1 . 2 . 3]" 1
593 1 33 TYR QD 1 140 ASN QD 4.290 . 4.290 4.376 4.304 4.492 0.202 20 0 "[ . 1 . 2 . 3]" 1
594 1 80 ILE MD 1 110 ILE MG 5.090 . 5.090 4.208 3.149 5.071 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 57 ILE QG 1 64 TYR QB 4.370 . 4.370 3.759 3.190 4.160 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 76 THR MG 1 115 ASP HA 4.950 . 4.950 3.459 3.402 3.573 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 125 LYS QB 1 126 PRO QD 4.920 . 4.920 3.520 2.557 3.775 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 81 GLU H 1 111 ASP H 5.110 . 5.110 4.742 3.873 5.110 . 0 0 "[ . 1 . 2 . 3]" 1
599 1 31 LEU QD 1 140 ASN HA 5.340 . 5.340 3.656 3.398 4.086 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 103 VAL QG 1 110 ILE MG 5.330 . 5.330 2.971 2.420 3.587 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 59 LYS QB 1 60 ASN HA 5.500 . 5.500 5.330 5.306 5.466 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 102 GLU H 1 103 VAL QG 5.500 . 5.500 3.895 3.232 4.927 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 32 ASN HA 1 53 PRO QB 3.940 . 3.940 2.474 2.276 2.594 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 90 LYS QG 1 91 ASN H 5.210 . 5.210 2.828 2.050 3.604 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 110 ILE H 1 138 LYS HA 5.500 . 5.500 3.482 2.853 4.038 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 40 THR MG 1 42 ASP QB 4.780 . 4.780 4.814 4.603 4.878 0.098 5 0 "[ . 1 . 2 . 3]" 1
607 1 88 ILE HA 1 89 SER H 4.840 . 4.840 3.531 3.499 3.549 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 94 LYS QB 1 96 GLU H 4.860 . 4.860 3.874 2.782 4.659 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 36 TYR HA 1 37 LYS H 4.080 . 4.080 2.367 2.280 2.481 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 128 LYS HA 1 128 LYS QE 5.110 . 5.110 4.227 2.733 4.905 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 138 LYS H 1 138 LYS QG 4.580 . 4.580 3.718 2.697 4.229 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 90 LYS QB 1 90 LYS QE 4.580 . 4.580 2.148 1.794 2.809 0.006 3 0 "[ . 1 . 2 . 3]" 1
613 1 91 ASN QB 1 94 LYS QB 4.290 . 4.290 2.865 2.200 3.832 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 91 ASN H 1 92 THR H 4.730 . 4.730 3.790 3.020 4.277 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 107 ASN HA 1 139 PHE QB 4.290 . 4.290 3.483 3.036 4.002 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 64 TYR HA 1 106 LEU QD 5.500 . 5.500 5.156 4.572 5.533 0.033 29 0 "[ . 1 . 2 . 3]" 1
617 1 96 GLU H 1 96 GLU QG 4.710 . 4.710 3.459 3.125 3.564 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 43 THR H 1 43 THR MG 4.750 . 4.750 3.162 2.262 3.506 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 66 GLN HA 1 98 THR MG 5.500 . 5.500 3.481 3.220 3.956 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 67 ILE MG 1 80 ILE MD 5.500 . 5.500 4.288 3.594 5.070 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 31 LEU HA 1 31 LEU QD 3.590 . 3.590 2.848 1.836 3.276 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 108 GLY QA 1 109 LYS HA 5.190 . 5.190 4.058 4.015 4.112 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 108 GLY H 1 140 ASN QD 5.500 . 5.500 5.232 3.781 5.550 0.050 24 0 "[ . 1 . 2 . 3]" 1
624 1 56 TYR QB 1 57 ILE H 4.140 . 4.140 2.778 2.671 2.907 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 87 ILE HA 1 99 SER HA 4.120 . 4.120 3.594 3.099 3.757 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 110 ILE H 1 136 THR HA 5.500 . 5.500 4.727 4.443 5.314 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 114 ILE MD 1 133 TYR QB 5.500 . 5.500 2.908 2.039 4.323 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 91 ASN QB 1 96 GLU H 4.850 . 4.850 2.679 2.210 3.296 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 78 MET HA 1 79 SER H 3.780 . 3.780 2.373 2.227 2.508 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 110 ILE HB 1 139 PHE QD 5.430 . 5.430 3.618 2.708 4.905 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 67 ILE QG 1 80 ILE MD 5.500 . 5.500 4.094 3.093 5.010 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 133 TYR HA 1 134 ASN H 3.940 . 3.940 2.563 2.231 2.630 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 33 TYR HA 1 34 GLU QG 5.500 . 5.500 5.338 4.892 5.546 0.046 17 0 "[ . 1 . 2 . 3]" 1
634 1 100 GLU HA 1 101 PHE H 3.730 . 3.730 2.280 2.222 2.321 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 143 THR HB 1 145 VAL QG 5.500 . 5.500 5.051 4.106 5.548 0.048 20 0 "[ . 1 . 2 . 3]" 1
636 1 63 LEU QB 1 106 LEU QD 4.610 . 4.610 3.237 2.692 3.680 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 53 PRO HA 1 54 ALA MB 4.360 . 4.360 4.000 3.899 4.032 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 91 ASN QB 1 93 ALA MB 4.710 . 4.710 4.370 3.878 4.697 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 139 PHE QB 1 140 ASN HA 5.500 . 5.500 4.143 4.071 4.308 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 38 TYR HA 1 136 THR MG 5.500 . 5.500 4.700 4.124 5.073 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 114 ILE HA 1 115 ASP H 3.880 . 3.880 2.255 2.199 2.310 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 27 ASP HA 1 58 LYS HA 5.340 . 5.340 5.254 4.844 5.420 0.080 10 0 "[ . 1 . 2 . 3]" 1
643 1 36 TYR HA 1 43 THR MG 4.560 . 4.560 2.253 1.916 3.839 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 46 ALA MB 1 135 ILE MG 5.140 . 5.140 2.087 1.841 2.466 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 68 THR HA 1 69 VAL H 3.810 . 3.810 2.216 2.200 2.274 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 76 THR MG 1 114 ILE QG 5.500 . 5.500 3.780 3.595 3.997 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 31 LEU H 1 55 LYS H 5.410 . 5.410 4.702 3.868 5.171 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 38 TYR HA 1 136 THR HB 5.140 . 5.140 4.447 3.877 4.901 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 76 THR MG 1 77 GLY H 4.370 . 4.370 2.066 1.914 2.216 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 110 ILE MG 1 139 PHE QE 5.500 . 5.500 3.590 2.404 5.242 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 57 ILE HA 1 57 ILE QG 3.810 . 3.810 2.633 2.583 2.687 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 61 GLY QA 1 62 LYS H 4.090 . 4.090 2.900 2.853 2.950 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 34 GLU HA 1 35 VAL QG 5.290 . 5.290 2.915 2.776 3.250 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 118 ILE MG 1 120 GLU QB 5.500 . 5.500 3.810 3.601 4.004 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 108 GLY QA 1 138 LYS QE 4.000 . 4.000 3.097 2.353 3.982 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 119 ASP HA 1 128 LYS QG 5.010 . 5.010 3.681 2.392 4.940 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 105 LYS QD 1 142 PRO QD 5.110 . 5.110 4.287 3.541 5.195 0.085 26 0 "[ . 1 . 2 . 3]" 1
658 1 119 ASP H 1 120 GLU QG 5.500 . 5.500 3.034 2.237 4.126 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 33 TYR QD 1 139 PHE QE 4.500 . 4.500 3.028 2.262 3.917 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 88 ILE MD 1 98 THR HB 4.040 . 4.040 3.763 3.648 3.849 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 35 VAL H 1 35 VAL HB 4.270 . 4.270 3.600 2.625 3.838 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 54 ALA HA 1 67 ILE HA 4.300 . 4.300 3.992 3.777 4.167 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 57 ILE QG 1 58 LYS H 4.900 . 4.900 2.536 1.937 3.272 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 117 TYR HA 1 130 ASP HA 4.760 . 4.760 2.373 2.131 2.708 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 107 ASN HA 1 108 GLY H 3.350 . 3.350 2.551 2.263 2.896 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 103 VAL QG 1 104 SER H 4.510 . 4.510 2.731 1.832 3.535 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 62 LYS H 1 62 LYS QB 3.750 . 3.750 3.299 3.136 3.381 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 103 VAL HB 1 104 SER H 4.210 . 4.210 3.198 1.945 4.233 0.023 27 0 "[ . 1 . 2 . 3]" 1
669 1 66 GLN HA 1 67 ILE HA 5.500 . 5.500 4.478 4.470 4.486 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 30 THR HA 1 54 ALA MB 4.960 . 4.960 4.909 4.659 5.010 0.050 16 0 "[ . 1 . 2 . 3]" 1
671 1 39 ASN HA 1 40 THR MG 5.300 . 5.300 3.980 3.900 5.257 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 137 TYR HA 1 138 LYS HA 4.530 . 4.530 4.545 4.490 4.605 0.075 12 0 "[ . 1 . 2 . 3]" 1
673 1 37 LYS QG 1 40 THR MG 4.080 . 4.080 2.289 1.724 3.406 0.076 21 0 "[ . 1 . 2 . 3]" 1
674 1 81 GLU QB 1 82 GLY H 5.310 . 5.310 3.491 3.376 3.600 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 28 SER H 1 57 ILE HB 5.450 . 5.450 5.445 5.328 5.525 0.075 27 0 "[ . 1 . 2 . 3]" 1
676 1 122 VAL HA 1 123 ASN H 4.810 . 4.810 2.278 2.211 2.346 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 98 THR H 1 98 THR HB 3.850 . 3.850 2.689 2.625 2.721 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 38 TYR QB 1 135 ILE HA 5.020 . 5.020 2.712 2.156 3.571 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 34 GLU QB 1 35 VAL H 4.700 . 4.700 2.544 2.221 3.475 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 106 LEU QB 1 141 GLY QA 5.100 . 5.100 3.924 3.311 4.557 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 57 ILE HB 1 57 ILE MD 3.370 . 3.370 2.221 2.046 2.360 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 53 PRO QB 1 54 ALA MB 5.060 . 5.060 3.874 3.824 3.927 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 36 TYR H 1 137 TYR HA 5.370 . 5.370 4.264 4.012 5.133 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 41 ASN H 1 42 ASP QB 5.500 . 5.500 3.469 3.304 3.944 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 88 ILE MG 1 90 LYS H 5.400 . 5.400 4.957 4.850 5.152 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 110 ILE MG 1 111 ASP H 4.080 . 4.080 2.280 2.000 2.738 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 92 THR HA 1 95 ASP QB 5.500 . 5.500 5.122 4.875 5.375 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 65 VAL QG 1 101 PHE QB 4.500 . 4.500 2.395 1.905 3.101 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 56 TYR QB 1 63 LEU QD 5.410 . 5.410 4.452 3.677 5.395 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 47 ASN HA 1 48 ASP H 4.650 . 4.650 3.474 3.415 3.558 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 117 TYR QD 1 118 ILE H 5.500 . 5.500 3.024 2.103 3.730 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 105 LYS HA 1 106 LEU HG 3.450 . 3.450 2.903 2.837 3.107 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 79 SER HA 1 84 LYS QB 5.020 . 5.020 4.861 4.085 5.074 0.054 15 0 "[ . 1 . 2 . 3]" 1
694 1 56 TYR HA 1 65 VAL HA 4.470 . 4.470 2.005 1.905 2.327 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 99 SER HA 1 100 GLU QB 5.370 . 5.370 3.976 3.923 4.026 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 138 LYS HA 1 138 LYS QE 5.340 . 5.340 3.655 2.226 4.707 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 106 LEU HA 1 106 LEU QD 3.640 . 3.640 3.266 3.251 3.307 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 23 ALA H 1 25 ALA MB 4.330 . 4.330 3.188 2.267 3.953 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 145 VAL QG 1 146 ALA HA 5.500 . 5.500 4.192 3.874 4.358 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 142 PRO HA 1 143 THR H 2.900 . 2.900 2.530 2.212 2.817 . 0 0 "[ . 1 . 2 . 3]" 1
701 1 86 ASN QB 1 88 ILE MD 4.960 . 4.960 5.024 5.004 5.063 0.103 29 0 "[ . 1 . 2 . 3]" 1
702 1 92 THR HA 1 96 GLU H 4.930 . 4.930 3.642 3.105 4.383 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 31 LEU QD 1 56 TYR QD 4.240 . 4.240 2.893 2.446 3.386 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 144 ASP QB 1 146 ALA H 5.210 . 5.210 3.252 2.474 5.057 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 117 TYR QD 1 118 ILE HA 5.010 . 5.010 4.149 3.274 4.736 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 27 ASP HA 1 28 SER QB 4.910 . 4.910 4.516 4.490 4.546 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 80 ILE MG 1 137 TYR QE 4.970 . 4.970 4.873 4.632 5.017 0.047 23 0 "[ . 1 . 2 . 3]" 1
708 1 42 ASP H 1 42 ASP QB 3.550 . 3.550 2.485 2.396 2.588 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 22 SER HA 1 22 SER QB 2.720 . 2.720 2.343 2.170 2.549 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 106 LEU QD 1 141 GLY QA 5.500 . 5.500 2.060 1.854 2.517 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 79 SER QB 1 84 LYS QD 4.790 . 4.790 4.198 3.306 4.784 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 139 PHE QB 1 140 ASN H 4.660 . 4.660 2.956 2.706 3.343 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 63 LEU QD 1 105 LYS QG 4.540 . 4.540 3.092 2.390 3.716 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 105 LYS QE 1 142 PRO QG 3.540 . 3.540 3.111 2.619 3.548 0.008 2 0 "[ . 1 . 2 . 3]" 1
715 1 124 GLY QA 1 125 LYS H 4.700 . 4.700 2.789 2.723 2.826 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 30 THR MG 1 54 ALA H 5.220 . 5.220 4.322 3.289 4.600 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 125 LYS HA 1 126 PRO QD 3.870 . 3.870 1.973 1.872 2.052 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 65 VAL HB 1 66 GLN HA 5.500 . 5.500 5.507 4.629 5.730 0.230 24 0 "[ . 1 . 2 . 3]" 1
719 1 68 THR HB 1 69 VAL QG 5.500 . 5.500 4.843 4.586 5.167 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 117 TYR QD 1 118 ILE QG 5.500 . 5.500 4.695 4.173 5.173 . 0 0 "[ . 1 . 2 . 3]" 1
721 1 80 ILE HA 1 80 ILE MD 4.620 . 4.620 3.697 3.486 3.766 . 0 0 "[ . 1 . 2 . 3]" 1
722 1 91 ASN QD 1 96 GLU QB 5.500 . 5.500 4.442 3.820 5.020 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 76 THR MG 1 117 TYR H 5.470 . 5.470 3.944 3.747 4.187 . 0 0 "[ . 1 . 2 . 3]" 1
724 1 55 LYS QB 1 66 GLN HA 5.500 . 5.500 5.038 4.703 5.270 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 31 LEU H 1 53 PRO QB 4.160 . 4.160 3.861 3.648 4.088 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 67 ILE MG 1 68 THR H 4.550 . 4.550 2.980 2.120 3.546 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 110 ILE HA 1 111 ASP H 3.270 . 3.270 2.290 2.213 2.342 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 106 LEU HA 1 107 ASN H 3.800 . 3.800 2.577 2.380 2.751 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 31 LEU H 1 32 ASN H 5.200 . 5.200 4.620 4.560 4.629 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 87 ILE HA 1 87 ILE MD 4.060 . 4.060 3.896 3.752 4.107 0.047 29 0 "[ . 1 . 2 . 3]" 1
731 1 80 ILE HB 1 101 PHE QD 5.020 . 5.020 2.539 1.946 3.184 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 80 ILE MG 1 110 ILE HB 5.030 . 5.030 4.026 3.268 4.968 . 0 0 "[ . 1 . 2 . 3]" 1
733 1 30 THR H 1 55 LYS HA 5.130 . 5.130 4.500 4.375 4.707 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 31 LEU QB 1 56 TYR QB 5.500 . 5.500 1.903 1.789 2.543 0.011 13 0 "[ . 1 . 2 . 3]" 1
735 1 38 TYR QE 1 134 ASN QB 4.120 . 4.120 3.507 2.999 3.880 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 87 ILE HB 1 90 LYS QG 4.750 . 4.750 4.708 4.408 4.811 0.061 8 0 "[ . 1 . 2 . 3]" 1
737 1 58 LYS QB 1 59 LYS H 4.440 . 4.440 2.947 2.400 3.555 . 0 0 "[ . 1 . 2 . 3]" 1
738 1 109 LYS H 1 138 LYS QG 4.920 . 4.920 4.182 3.278 4.925 0.005 18 0 "[ . 1 . 2 . 3]" 1
739 1 94 LYS H 1 94 LYS QB 3.790 . 3.790 2.264 2.053 2.544 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 80 ILE MG 1 101 PHE QD 4.540 . 4.540 3.264 2.276 3.796 . 0 0 "[ . 1 . 2 . 3]" 1
741 1 22 SER QB 1 23 ALA H 5.380 . 5.380 3.325 2.029 4.014 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 114 ILE MD 1 135 ILE MD 5.500 . 5.500 3.201 2.414 3.707 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 30 THR HA 1 56 TYR QE 5.500 . 5.500 4.715 4.073 5.492 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 103 VAL QG 1 106 LEU HG 5.330 . 5.330 4.065 3.209 4.680 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 118 ILE MD 1 129 TYR QD 5.500 . 5.500 1.972 1.801 2.546 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 108 GLY QA 1 109 LYS H 3.320 . 3.320 2.243 2.154 2.330 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 112 GLY H 1 136 THR HA 4.840 . 4.840 3.375 2.842 3.889 . 0 0 "[ . 1 . 2 . 3]" 1
748 1 144 ASP HA 1 146 ALA H 5.010 . 5.010 4.714 4.148 5.070 0.060 7 0 "[ . 1 . 2 . 3]" 1
749 1 33 TYR HA 1 140 ASN QD 4.860 . 4.860 1.881 1.770 2.006 0.030 23 0 "[ . 1 . 2 . 3]" 1
750 1 64 TYR HA 1 65 VAL QG 4.850 . 4.850 3.670 2.720 4.204 . 0 0 "[ . 1 . 2 . 3]" 1
751 1 89 SER QB 1 90 LYS H 3.720 . 3.720 3.750 3.405 3.833 0.113 18 0 "[ . 1 . 2 . 3]" 1
752 1 37 LYS QE 1 135 ILE HB 5.500 . 5.500 5.269 4.855 5.510 0.010 13 0 "[ . 1 . 2 . 3]" 1
753 1 65 VAL QG 1 80 ILE MD 4.430 . 4.430 3.567 3.013 4.397 . 0 0 "[ . 1 . 2 . 3]" 1
754 1 88 ILE MG 1 89 SER QB 4.340 . 4.340 2.161 1.906 2.560 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 25 ALA HA 1 26 ALA H 2.900 . 2.900 2.447 2.200 2.936 0.036 8 0 "[ . 1 . 2 . 3]" 1
756 1 43 THR H 1 43 THR HB 3.610 . 3.610 3.097 1.995 3.438 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 38 TYR HA 1 38 TYR QE 4.280 . 4.280 4.047 4.023 4.120 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 76 THR MG 1 116 VAL HB 4.740 . 4.740 4.824 4.800 4.869 0.129 30 0 "[ . 1 . 2 . 3]" 1
759 1 121 LYS HA 1 126 PRO HA 4.090 . 4.090 2.266 1.965 2.768 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 41 ASN H 1 42 ASP HA 5.160 . 5.160 4.684 4.633 4.849 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 38 TYR HA 1 39 ASN H 3.890 . 3.890 2.272 2.241 2.293 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 40 THR MG 1 42 ASP H 4.560 . 4.560 3.955 3.502 4.119 . 0 0 "[ . 1 . 2 . 3]" 1
763 1 76 THR MG 1 116 VAL QG 5.500 . 5.500 3.509 3.331 3.629 . 0 0 "[ . 1 . 2 . 3]" 1
764 1 32 ASN HA 1 33 TYR HA 5.500 . 5.500 4.540 4.513 4.568 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 103 VAL QG 1 105 LYS H 3.980 . 3.980 3.607 1.844 4.030 0.050 23 0 "[ . 1 . 2 . 3]" 1
766 1 80 ILE MD 1 101 PHE HA 5.500 . 5.500 4.526 4.063 5.072 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 62 LYS QB 1 63 LEU H 3.580 . 3.580 2.683 2.469 2.914 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 107 ASN QD 1 140 ASN HA 4.180 . 4.180 3.270 1.964 4.212 0.032 22 0 "[ . 1 . 2 . 3]" 1
769 1 109 LYS QE 1 110 ILE H 5.500 . 5.500 3.292 2.195 4.243 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 94 LYS QB 1 95 ASP QB 5.500 . 5.500 4.313 4.126 4.585 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 68 THR HA 1 99 SER H 4.530 . 4.530 4.223 4.105 4.396 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 35 VAL QG 1 36 TYR H 4.990 . 4.990 3.165 2.807 3.658 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 105 LYS HA 1 105 LYS QD 3.790 . 3.790 2.115 1.918 3.027 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 30 THR MG 1 53 PRO QD 5.000 . 5.000 3.175 2.819 3.505 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 65 VAL QG 1 101 PHE HA 5.030 . 5.030 4.724 3.910 5.057 0.027 20 0 "[ . 1 . 2 . 3]" 1
776 1 35 VAL QG 1 47 ASN HA 4.980 . 4.980 2.593 2.029 4.404 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 113 LYS H 1 114 ILE H 5.410 . 5.410 4.462 4.425 4.619 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 27 ASP H 1 27 ASP HA 3.040 . 3.040 2.367 2.364 2.372 . 0 0 "[ . 1 . 2 . 3]" 1
779 1 110 ILE HB 1 111 ASP H 4.860 . 4.860 4.115 3.752 4.459 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 114 ILE HB 1 115 ASP H 5.290 . 5.290 3.889 3.625 4.110 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 75 ILE HA 1 76 THR H 3.950 . 3.950 2.200 2.192 2.211 . 0 0 "[ . 1 . 2 . 3]" 1
782 1 97 ARG H 1 98 THR H 5.180 . 5.180 4.371 4.272 4.537 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 111 ASP HA 1 112 GLY H 3.580 . 3.580 2.227 2.209 2.277 . 0 0 "[ . 1 . 2 . 3]" 1
784 1 29 GLY H 1 55 LYS HA 4.790 . 4.790 4.180 4.050 4.412 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 111 ASP HA 1 137 TYR H 4.570 . 4.570 3.768 3.309 4.416 . 0 0 "[ . 1 . 2 . 3]" 1
786 1 91 ASN QB 1 96 GLU QG 4.980 . 4.980 4.045 3.751 4.500 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 33 TYR QB 1 139 PHE QB 5.230 . 5.230 3.679 3.370 3.993 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 91 ASN HA 1 92 THR MG 5.400 . 5.400 4.673 3.832 5.448 0.048 26 0 "[ . 1 . 2 . 3]" 1
789 1 26 ALA MB 1 27 ASP HA 4.400 . 4.400 3.973 3.839 4.296 . 0 0 "[ . 1 . 2 . 3]" 1
790 1 42 ASP HA 1 43 THR HB 5.380 . 5.380 5.279 4.196 5.542 0.162 18 0 "[ . 1 . 2 . 3]" 1
791 1 68 THR HA 1 98 THR HA 4.480 . 4.480 2.608 2.516 2.810 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 118 ILE H 1 119 ASP H 5.500 . 5.500 4.460 4.416 4.512 . 0 0 "[ . 1 . 2 . 3]" 1
793 1 103 VAL QG 1 104 SER HA 5.500 . 5.500 4.004 3.585 4.526 . 0 0 "[ . 1 . 2 . 3]" 1
794 1 36 TYR QB 1 43 THR HA 5.500 . 5.500 4.069 3.816 4.332 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 114 ILE H 1 114 ILE MG 4.550 . 4.550 2.183 2.050 2.239 . 0 0 "[ . 1 . 2 . 3]" 1
796 1 28 SER HA 1 57 ILE MD 4.890 . 4.890 4.192 3.952 4.402 . 0 0 "[ . 1 . 2 . 3]" 1
797 1 89 SER HA 1 98 THR HB 5.240 . 5.240 4.810 4.561 4.986 . 0 0 "[ . 1 . 2 . 3]" 1
798 1 47 ASN QB 1 48 ASP HA 5.500 . 5.500 4.726 4.277 4.825 . 0 0 "[ . 1 . 2 . 3]" 1
799 1 33 TYR QD 1 139 PHE HA 4.680 . 4.680 3.939 3.500 4.183 . 0 0 "[ . 1 . 2 . 3]" 1
800 1 28 SER QB 1 57 ILE HB 4.090 . 4.090 2.801 2.466 3.188 . 0 0 "[ . 1 . 2 . 3]" 1
801 1 46 ALA MB 1 47 ASN HA 5.500 . 5.500 3.921 3.785 4.080 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 91 ASN HA 1 92 THR H 4.890 . 4.890 2.380 2.218 2.633 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 101 PHE QB 1 103 VAL QG 5.020 . 5.020 3.061 2.563 4.101 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 110 ILE HB 1 137 TYR QB 4.620 . 4.620 2.632 2.091 3.151 . 0 0 "[ . 1 . 2 . 3]" 1
805 1 105 LYS QE 1 106 LEU QD 5.500 . 5.500 3.083 2.772 3.386 . 0 0 "[ . 1 . 2 . 3]" 1
806 1 116 VAL QG 1 118 ILE HB 5.500 . 5.500 4.680 4.025 5.463 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 115 ASP HA 1 133 TYR H 4.070 . 4.070 2.880 2.534 3.487 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 59 LYS H 1 62 LYS QB 3.950 . 3.950 3.673 3.470 3.891 . 0 0 "[ . 1 . 2 . 3]" 1
809 1 140 ASN HA 1 141 GLY H 3.580 . 3.580 2.261 2.201 2.310 . 0 0 "[ . 1 . 2 . 3]" 1
810 1 105 LYS QB 1 105 LYS QE 4.270 . 4.270 3.494 2.971 3.756 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 38 TYR QE 1 111 ASP HA 4.880 . 4.880 2.934 2.292 3.492 . 0 0 "[ . 1 . 2 . 3]" 1
812 1 88 ILE HB 1 99 SER HA 5.300 . 5.300 2.815 2.125 3.084 . 0 0 "[ . 1 . 2 . 3]" 1
813 1 50 PHE QB 1 51 ASN H 4.580 . 4.580 3.586 3.293 3.808 . 0 0 "[ . 1 . 2 . 3]" 1
814 1 67 ILE HB 1 78 MET QB 5.500 . 5.500 5.264 4.717 5.540 0.040 7 0 "[ . 1 . 2 . 3]" 1
815 1 27 ASP HA 1 28 SER H 3.100 . 3.100 3.041 2.970 3.096 . 0 0 "[ . 1 . 2 . 3]" 1
816 1 38 TYR QB 1 135 ILE H 5.090 . 5.090 4.672 4.353 4.871 . 0 0 "[ . 1 . 2 . 3]" 1
817 1 79 SER QB 1 84 LYS QG 4.440 . 4.440 3.345 2.054 4.235 . 0 0 "[ . 1 . 2 . 3]" 1
818 1 145 VAL HA 1 145 VAL QG 3.010 . 3.010 2.061 1.995 2.132 . 0 0 "[ . 1 . 2 . 3]" 1
819 1 56 TYR HA 1 106 LEU QD 5.060 . 5.060 3.672 3.280 4.104 . 0 0 "[ . 1 . 2 . 3]" 1
820 1 80 ILE MG 1 81 GLU HA 5.140 . 5.140 3.611 3.391 3.935 . 0 0 "[ . 1 . 2 . 3]" 1
821 1 34 GLU QG 1 35 VAL H 4.820 . 4.820 2.247 1.924 2.953 . 0 0 "[ . 1 . 2 . 3]" 1
822 1 88 ILE QG 1 100 GLU H 5.090 . 5.090 4.401 3.547 4.785 . 0 0 "[ . 1 . 2 . 3]" 1
823 1 92 THR HA 1 95 ASP HA 3.580 . 3.580 3.197 3.037 3.398 . 0 0 "[ . 1 . 2 . 3]" 1
824 1 100 GLU QG 1 101 PHE H 4.400 . 4.400 2.452 2.044 2.971 . 0 0 "[ . 1 . 2 . 3]" 1
825 1 110 ILE HA 1 110 ILE QG 4.000 . 4.000 2.409 2.112 2.805 . 0 0 "[ . 1 . 2 . 3]" 1
826 1 110 ILE H 1 137 TYR QB 5.130 . 5.130 2.874 2.256 3.472 . 0 0 "[ . 1 . 2 . 3]" 1
827 1 107 ASN QD 1 108 GLY H 5.500 . 5.500 4.550 3.520 5.273 . 0 0 "[ . 1 . 2 . 3]" 1
828 1 103 VAL HA 1 110 ILE MG 4.790 . 4.790 4.763 4.452 4.850 0.060 22 0 "[ . 1 . 2 . 3]" 1
829 1 80 ILE MG 1 103 VAL QG 4.620 . 4.620 2.570 1.752 3.729 0.048 18 0 "[ . 1 . 2 . 3]" 1
830 1 115 ASP HA 1 132 HIS HA 4.340 . 4.340 2.258 1.929 2.720 . 0 0 "[ . 1 . 2 . 3]" 1
831 1 109 LYS HA 1 136 THR MG 4.720 . 4.720 3.862 3.587 4.210 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 67 ILE QG 1 68 THR H 5.180 . 5.180 3.145 2.573 4.398 . 0 0 "[ . 1 . 2 . 3]" 1
833 1 30 THR HB 1 31 LEU HA 5.500 . 5.500 4.652 4.606 4.700 . 0 0 "[ . 1 . 2 . 3]" 1
834 1 105 LYS QB 1 106 LEU H 4.050 . 4.050 2.152 1.864 3.037 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 34 GLU QB 1 35 VAL HA 5.450 . 5.450 4.072 3.974 4.911 . 0 0 "[ . 1 . 2 . 3]" 1
836 1 31 LEU HG 1 56 TYR QE 5.500 . 5.500 5.363 4.165 5.613 0.113 29 0 "[ . 1 . 2 . 3]" 1
837 1 63 LEU QD 1 106 LEU HG 3.810 . 3.810 2.609 1.790 3.917 0.107 4 0 "[ . 1 . 2 . 3]" 1
838 1 27 ASP QB 1 58 LYS HA 4.020 . 4.020 4.117 3.927 4.198 0.178 11 0 "[ . 1 . 2 . 3]" 1
839 1 88 ILE MG 1 90 LYS HA 5.230 . 5.230 5.331 5.293 5.419 0.189 8 0 "[ . 1 . 2 . 3]" 1
840 1 29 GLY QA 1 30 THR H 3.270 . 3.270 2.318 2.185 2.330 . 0 0 "[ . 1 . 2 . 3]" 1
841 1 54 ALA MB 1 67 ILE QG 4.400 . 4.400 3.009 2.460 3.686 . 0 0 "[ . 1 . 2 . 3]" 1
842 1 119 ASP HA 1 120 GLU H 3.750 . 3.750 2.285 2.234 2.309 . 0 0 "[ . 1 . 2 . 3]" 1
843 1 69 VAL QG 1 97 ARG H 4.890 . 4.890 2.849 1.909 3.815 . 0 0 "[ . 1 . 2 . 3]" 1
844 1 58 LYS QG 1 63 LEU HA 4.400 . 4.400 3.015 2.384 3.650 . 0 0 "[ . 1 . 2 . 3]" 1
845 1 136 THR MG 1 137 TYR H 4.650 . 4.650 2.700 1.966 3.088 . 0 0 "[ . 1 . 2 . 3]" 1
846 1 31 LEU HA 1 32 ASN QB 5.360 . 5.360 4.145 3.979 4.509 . 0 0 "[ . 1 . 2 . 3]" 1
847 1 76 THR HB 1 115 ASP QB 5.500 . 5.500 3.893 3.781 4.262 . 0 0 "[ . 1 . 2 . 3]" 1
848 1 88 ILE H 1 88 ILE MG 4.180 . 4.180 2.207 1.966 2.491 . 0 0 "[ . 1 . 2 . 3]" 1
849 1 93 ALA MB 1 94 LYS QB 4.350 . 4.350 3.515 3.060 3.942 . 0 0 "[ . 1 . 2 . 3]" 1
850 1 86 ASN HA 1 87 ILE H 3.270 . 3.270 2.234 2.216 2.268 . 0 0 "[ . 1 . 2 . 3]" 1
851 1 55 LYS H 1 67 ILE MD 5.500 . 5.500 5.041 4.589 5.434 . 0 0 "[ . 1 . 2 . 3]" 1
852 1 84 LYS QE 1 84 LYS QG 3.460 . 3.460 2.140 1.963 2.347 . 0 0 "[ . 1 . 2 . 3]" 1
853 1 136 THR H 1 137 TYR H 5.390 . 5.390 4.505 4.401 4.623 . 0 0 "[ . 1 . 2 . 3]" 1
854 1 56 TYR H 1 57 ILE HA 5.180 . 5.180 5.200 5.170 5.236 0.056 29 0 "[ . 1 . 2 . 3]" 1
855 1 42 ASP QB 1 43 THR H 3.960 . 3.960 3.581 2.566 3.911 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 102 GLU QB 1 103 VAL H 5.500 . 5.500 3.714 3.258 3.881 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 116 VAL QG 1 132 HIS QB 5.500 . 5.500 5.038 4.377 5.520 0.020 4 0 "[ . 1 . 2 . 3]" 1
858 1 66 GLN HA 1 88 ILE MD 5.500 . 5.500 3.904 3.218 4.704 . 0 0 "[ . 1 . 2 . 3]" 1
859 1 64 TYR H 1 106 LEU QD 5.500 . 5.500 4.467 4.054 4.982 . 0 0 "[ . 1 . 2 . 3]" 1
860 1 67 ILE H 1 101 PHE QE 5.500 . 5.500 3.603 2.407 4.701 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 31 LEU HA 1 32 ASN H 3.160 . 3.160 2.342 2.234 2.392 . 0 0 "[ . 1 . 2 . 3]" 1
862 1 64 TYR QD 1 102 GLU QB 4.470 . 4.470 2.839 1.970 4.248 . 0 0 "[ . 1 . 2 . 3]" 1
863 1 27 ASP QB 1 58 LYS H 4.810 . 4.810 2.760 2.351 3.206 . 0 0 "[ . 1 . 2 . 3]" 1
864 1 85 GLU HA 1 86 ASN H 4.450 . 4.450 2.471 2.312 2.497 . 0 0 "[ . 1 . 2 . 3]" 1
865 1 65 VAL HA 1 106 LEU QD 5.500 . 5.500 4.713 3.973 5.281 . 0 0 "[ . 1 . 2 . 3]" 1
866 1 112 GLY QA 1 113 LYS H 4.180 . 4.180 2.304 2.162 2.335 . 0 0 "[ . 1 . 2 . 3]" 1
867 1 38 TYR HA 1 136 THR H 4.570 . 4.570 3.906 3.340 4.465 . 0 0 "[ . 1 . 2 . 3]" 1
868 1 121 LYS QE 1 121 LYS QG 3.060 . 3.060 2.120 1.922 2.371 . 0 0 "[ . 1 . 2 . 3]" 1
869 1 136 THR HA 1 137 TYR H 3.840 . 3.840 2.253 2.205 2.426 . 0 0 "[ . 1 . 2 . 3]" 1
870 1 33 TYR QD 1 139 PHE QB 5.500 . 5.500 5.151 4.887 5.435 . 0 0 "[ . 1 . 2 . 3]" 1
871 1 77 GLY H 1 115 ASP QB 4.470 . 4.470 3.526 3.386 3.744 . 0 0 "[ . 1 . 2 . 3]" 1
872 1 78 MET QB 1 79 SER HA 5.390 . 5.390 4.157 3.929 4.523 . 0 0 "[ . 1 . 2 . 3]" 1
873 1 27 ASP QB 1 57 ILE QG 3.840 . 3.840 3.062 2.936 3.286 . 0 0 "[ . 1 . 2 . 3]" 1
874 1 135 ILE HA 1 136 THR HB 5.500 . 5.500 4.749 4.605 4.938 . 0 0 "[ . 1 . 2 . 3]" 1
875 1 57 ILE HA 1 57 ILE MD 3.890 . 3.890 3.761 3.677 3.837 . 0 0 "[ . 1 . 2 . 3]" 1
876 1 109 LYS HA 1 139 PHE H 4.540 . 4.540 3.245 2.332 3.929 . 0 0 "[ . 1 . 2 . 3]" 1
877 1 60 ASN HA 1 61 GLY H 3.800 . 3.800 2.335 2.255 2.466 . 0 0 "[ . 1 . 2 . 3]" 1
878 1 92 THR MG 1 93 ALA HA 5.500 . 5.500 5.010 3.072 5.517 0.017 28 0 "[ . 1 . 2 . 3]" 1
879 1 30 THR HA 1 53 PRO QB 5.060 . 5.060 4.187 3.933 4.423 . 0 0 "[ . 1 . 2 . 3]" 1
880 1 36 TYR QD 1 43 THR HB 5.500 . 5.500 4.584 2.151 5.366 . 0 0 "[ . 1 . 2 . 3]" 1
881 1 67 ILE HA 1 99 SER H 5.100 . 5.100 4.694 4.586 4.888 . 0 0 "[ . 1 . 2 . 3]" 1
882 1 43 THR MG 1 47 ASN H 5.500 . 5.500 2.723 2.074 3.738 . 0 0 "[ . 1 . 2 . 3]" 1
883 1 57 ILE H 1 64 TYR H 4.030 . 4.030 2.748 2.564 2.943 . 0 0 "[ . 1 . 2 . 3]" 1
884 1 80 ILE HA 1 82 GLY H 5.500 . 5.500 3.381 3.235 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
885 1 104 SER HA 1 105 LYS H 4.590 . 4.590 2.457 2.216 3.559 . 0 0 "[ . 1 . 2 . 3]" 1
886 1 44 SER QB 1 46 ALA MB 5.500 . 5.500 5.593 5.514 5.658 0.158 20 0 "[ . 1 . 2 . 3]" 1
887 1 32 ASN HA 1 33 TYR H 3.360 . 3.360 2.258 2.230 2.287 . 0 0 "[ . 1 . 2 . 3]" 1
888 1 144 ASP HA 1 145 VAL QG 4.670 . 4.670 3.853 2.896 4.181 . 0 0 "[ . 1 . 2 . 3]" 1
889 1 38 TYR HA 1 40 THR H 4.840 . 4.840 3.285 3.247 3.489 . 0 0 "[ . 1 . 2 . 3]" 1
890 1 31 LEU QD 1 56 TYR QE 4.420 . 4.420 3.555 2.444 4.448 0.028 25 0 "[ . 1 . 2 . 3]" 1
891 1 68 THR MG 1 96 GLU QB 5.500 . 5.500 3.977 3.508 4.710 . 0 0 "[ . 1 . 2 . 3]" 1
892 1 113 LYS H 1 137 TYR QE 5.500 . 5.500 3.405 2.887 4.831 . 0 0 "[ . 1 . 2 . 3]" 1
893 1 114 ILE H 1 134 ASN HA 4.900 . 4.900 2.489 2.076 3.565 . 0 0 "[ . 1 . 2 . 3]" 1
894 1 92 THR H 1 93 ALA H 5.500 . 5.500 2.570 2.450 2.781 . 0 0 "[ . 1 . 2 . 3]" 1
895 1 146 ALA HA 1 147 GLY H 3.930 . 3.930 2.832 2.208 3.593 . 0 0 "[ . 1 . 2 . 3]" 1
896 1 61 GLY QA 1 62 LYS HA 5.190 . 5.190 4.089 4.063 4.126 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 110 ILE HA 1 110 ILE MD 3.930 . 3.930 3.208 1.940 3.858 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 63 LEU QD 1 106 LEU HA 4.920 . 4.920 4.300 3.858 5.010 0.090 7 0 "[ . 1 . 2 . 3]" 1
899 1 56 TYR QE 1 106 LEU QD 5.500 . 5.500 3.602 2.973 4.750 . 0 0 "[ . 1 . 2 . 3]" 1
900 1 116 VAL HA 1 117 TYR H 3.990 . 3.990 2.306 2.258 2.349 . 0 0 "[ . 1 . 2 . 3]" 1
901 1 99 SER HA 1 100 GLU H 3.760 . 3.760 2.256 2.231 2.296 . 0 0 "[ . 1 . 2 . 3]" 1
902 1 34 GLU H 1 35 VAL QG 5.500 . 5.500 4.034 3.882 4.323 . 0 0 "[ . 1 . 2 . 3]" 1
903 1 27 ASP QB 1 57 ILE MD 3.870 . 3.870 3.894 3.647 3.952 0.082 9 0 "[ . 1 . 2 . 3]" 1
904 1 59 LYS QB 1 60 ASN H 4.770 . 4.770 3.939 3.922 4.000 . 0 0 "[ . 1 . 2 . 3]" 1
905 1 27 ASP QB 1 28 SER HA 5.210 . 5.210 4.466 4.432 4.492 . 0 0 "[ . 1 . 2 . 3]" 1
906 1 29 GLY H 1 56 TYR QD 4.310 . 4.310 3.516 2.933 3.933 . 0 0 "[ . 1 . 2 . 3]" 1
907 1 67 ILE HA 1 68 THR H 3.400 . 3.400 2.242 2.214 2.301 . 0 0 "[ . 1 . 2 . 3]" 1
908 1 76 THR MG 1 115 ASP H 5.500 . 5.500 2.987 2.737 3.201 . 0 0 "[ . 1 . 2 . 3]" 1
909 1 107 ASN QB 1 140 ASN HA 5.410 . 5.410 4.044 3.538 4.770 . 0 0 "[ . 1 . 2 . 3]" 1
910 1 56 TYR HA 1 66 GLN H 4.420 . 4.420 3.518 3.290 3.780 . 0 0 "[ . 1 . 2 . 3]" 1
911 1 84 LYS QB 1 85 GLU H 4.420 . 4.420 2.352 1.921 3.048 . 0 0 "[ . 1 . 2 . 3]" 1
912 1 90 LYS H 1 90 LYS QB 3.740 . 3.740 2.240 2.193 2.582 . 0 0 "[ . 1 . 2 . 3]" 1
913 1 33 TYR QD 1 35 VAL QG 4.350 . 4.350 3.803 3.348 4.359 0.009 14 0 "[ . 1 . 2 . 3]" 1
914 1 113 LYS HA 1 114 ILE H 3.990 . 3.990 2.452 2.375 2.588 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 121 LYS QG 1 125 LYS HA 5.500 . 5.500 4.347 3.148 5.508 0.008 26 0 "[ . 1 . 2 . 3]" 1
916 1 136 THR H 1 136 THR HB 4.340 . 4.340 2.387 2.219 2.526 . 0 0 "[ . 1 . 2 . 3]" 1
917 1 36 TYR HA 1 36 TYR QE 4.560 . 4.560 4.291 4.121 4.414 . 0 0 "[ . 1 . 2 . 3]" 1
918 1 139 PHE QB 1 141 GLY H 5.070 . 5.070 4.376 4.153 4.632 . 0 0 "[ . 1 . 2 . 3]" 1
919 1 57 ILE HB 1 64 TYR H 5.130 . 5.130 4.886 4.707 5.115 . 0 0 "[ . 1 . 2 . 3]" 1
920 1 114 ILE MG 1 134 ASN HA 5.320 . 5.320 2.334 1.886 3.493 . 0 0 "[ . 1 . 2 . 3]" 1
921 1 61 GLY H 1 62 LYS QB 5.500 . 5.500 5.237 5.087 5.431 . 0 0 "[ . 1 . 2 . 3]" 1
922 1 56 TYR HA 1 56 TYR QD 4.410 . 4.410 3.664 3.628 3.692 . 0 0 "[ . 1 . 2 . 3]" 1
923 1 107 ASN HA 1 140 ASN HA 4.180 . 4.180 2.429 1.974 2.756 . 0 0 "[ . 1 . 2 . 3]" 1
924 1 37 LYS H 1 37 LYS QG 4.410 . 4.410 3.890 3.558 4.004 . 0 0 "[ . 1 . 2 . 3]" 1
925 1 108 GLY H 1 140 ASN HA 4.740 . 4.740 3.844 3.086 4.361 . 0 0 "[ . 1 . 2 . 3]" 1
926 1 31 LEU QB 1 56 TYR QE 4.500 . 4.500 3.589 3.020 4.179 . 0 0 "[ . 1 . 2 . 3]" 1
927 1 98 THR HA 1 99 SER H 3.750 . 3.750 2.362 2.319 2.403 . 0 0 "[ . 1 . 2 . 3]" 1
928 1 26 ALA MB 1 27 ASP H 3.820 . 3.820 2.124 1.920 2.564 . 0 0 "[ . 1 . 2 . 3]" 1
929 1 103 VAL HA 1 110 ILE MD 4.370 . 4.370 4.242 3.729 4.398 0.028 27 0 "[ . 1 . 2 . 3]" 1
930 1 66 GLN QB 1 88 ILE MD 3.510 . 3.510 2.537 1.917 3.041 . 0 0 "[ . 1 . 2 . 3]" 1
931 1 104 SER QB 1 105 LYS H 5.110 . 5.110 3.595 2.339 3.984 . 0 0 "[ . 1 . 2 . 3]" 1
932 1 129 TYR QD 1 130 ASP H 3.780 . 3.780 3.724 3.516 3.826 0.046 12 0 "[ . 1 . 2 . 3]" 1
933 1 67 ILE MG 1 99 SER QB 5.500 . 5.500 3.850 3.102 5.253 . 0 0 "[ . 1 . 2 . 3]" 1
934 1 31 LEU QD 1 141 GLY H 4.240 . 4.240 3.005 2.687 3.831 . 0 0 "[ . 1 . 2 . 3]" 1
935 1 117 TYR QB 1 118 ILE H 5.500 . 5.500 3.949 3.833 4.031 . 0 0 "[ . 1 . 2 . 3]" 1
936 1 105 LYS QG 1 142 PRO QG 5.070 . 5.070 4.901 3.128 5.112 0.042 10 0 "[ . 1 . 2 . 3]" 1
937 1 81 GLU QG 1 82 GLY H 5.500 . 5.500 4.767 4.656 4.905 . 0 0 "[ . 1 . 2 . 3]" 1
938 1 110 ILE HA 1 111 ASP HA 4.780 . 4.780 4.439 4.422 4.474 . 0 0 "[ . 1 . 2 . 3]" 1
939 1 88 ILE HB 1 89 SER QB 5.220 . 5.220 4.820 4.585 5.085 . 0 0 "[ . 1 . 2 . 3]" 1
940 1 109 LYS HA 1 109 LYS QE 4.930 . 4.930 4.106 3.339 4.789 . 0 0 "[ . 1 . 2 . 3]" 1
941 1 33 TYR H 1 33 TYR QD 4.270 . 4.270 2.212 1.923 3.004 . 0 0 "[ . 1 . 2 . 3]" 1
942 1 90 LYS HA 1 97 ARG HA 3.700 . 3.700 2.330 1.990 2.519 . 0 0 "[ . 1 . 2 . 3]" 1
943 1 107 ASN QB 1 141 GLY H 4.730 . 4.730 2.707 2.043 3.510 . 0 0 "[ . 1 . 2 . 3]" 1
944 1 55 LYS H 1 67 ILE H 5.500 . 5.500 5.531 5.419 5.597 0.097 9 0 "[ . 1 . 2 . 3]" 1
945 1 26 ALA HA 1 28 SER H 4.420 . 4.420 3.672 3.159 4.382 . 0 0 "[ . 1 . 2 . 3]" 1
946 1 67 ILE MD 1 137 TYR QE 4.490 . 4.490 3.054 2.040 4.492 0.002 14 0 "[ . 1 . 2 . 3]" 1
947 1 118 ILE MG 1 120 GLU QG 4.410 . 4.410 2.386 2.092 3.065 . 0 0 "[ . 1 . 2 . 3]" 1
948 1 36 TYR H 1 36 TYR QD 5.410 . 5.410 3.475 2.548 3.905 . 0 0 "[ . 1 . 2 . 3]" 1
949 1 27 ASP QB 1 57 ILE HA 5.030 . 5.030 4.158 4.036 4.256 . 0 0 "[ . 1 . 2 . 3]" 1
950 1 109 LYS HA 1 138 LYS QG 4.200 . 4.200 2.624 1.899 3.934 . 0 0 "[ . 1 . 2 . 3]" 1
951 1 99 SER QB 1 100 GLU H 4.880 . 4.880 3.069 2.905 3.182 . 0 0 "[ . 1 . 2 . 3]" 1
952 1 113 LYS H 1 114 ILE MG 5.500 . 5.500 4.313 3.890 4.810 . 0 0 "[ . 1 . 2 . 3]" 1
953 1 30 THR HA 1 56 TYR QD 4.840 . 4.840 3.533 2.663 3.948 . 0 0 "[ . 1 . 2 . 3]" 1
954 1 36 TYR HA 1 43 THR HA 3.950 . 3.950 2.194 2.009 2.377 . 0 0 "[ . 1 . 2 . 3]" 1
955 1 56 TYR HA 1 57 ILE HA 5.180 . 5.180 4.580 4.566 4.595 . 0 0 "[ . 1 . 2 . 3]" 1
956 1 40 THR HB 1 41 ASN H 3.440 . 3.440 2.641 1.930 2.921 . 0 0 "[ . 1 . 2 . 3]" 1
957 1 81 GLU QG 1 110 ILE MG 3.950 . 3.950 2.583 2.147 2.964 . 0 0 "[ . 1 . 2 . 3]" 1
958 1 58 LYS QB 1 105 LYS QE 4.040 . 4.040 3.934 3.367 4.174 0.134 11 0 "[ . 1 . 2 . 3]" 1
959 1 39 ASN QB 1 40 THR H 4.720 . 4.720 3.423 3.334 3.697 . 0 0 "[ . 1 . 2 . 3]" 1
960 1 31 LEU HA 1 53 PRO QB 4.580 . 4.580 4.456 4.293 4.592 0.012 20 0 "[ . 1 . 2 . 3]" 1
961 1 110 ILE H 1 137 TYR QD 5.440 . 5.440 4.770 4.082 5.338 . 0 0 "[ . 1 . 2 . 3]" 1
962 1 108 GLY QA 1 138 LYS QG 5.220 . 5.220 4.165 3.458 4.762 . 0 0 "[ . 1 . 2 . 3]" 1
963 1 76 THR HA 1 116 VAL HA 5.460 . 5.460 4.431 4.207 4.728 . 0 0 "[ . 1 . 2 . 3]" 1
964 1 37 LYS QE 1 44 SER QB 4.220 . 4.220 3.822 1.738 4.239 0.062 11 0 "[ . 1 . 2 . 3]" 1
965 1 109 LYS H 1 109 LYS QB 3.390 . 3.390 2.559 2.059 3.183 . 0 0 "[ . 1 . 2 . 3]" 1
966 1 47 ASN H 1 48 ASP QB 5.330 . 5.330 4.483 4.222 4.878 . 0 0 "[ . 1 . 2 . 3]" 1
967 1 107 ASN QB 1 108 GLY H 4.590 . 4.590 4.023 3.866 4.083 . 0 0 "[ . 1 . 2 . 3]" 1
968 1 76 THR MG 1 77 GLY QA 5.500 . 5.500 2.877 2.764 2.982 . 0 0 "[ . 1 . 2 . 3]" 1
969 1 66 GLN HA 1 67 ILE MD 5.500 . 5.500 4.434 2.690 5.553 0.053 2 0 "[ . 1 . 2 . 3]" 1
970 1 105 LYS QD 1 142 PRO QG 3.920 . 3.920 3.191 2.852 3.804 . 0 0 "[ . 1 . 2 . 3]" 1
971 1 115 ASP HA 1 116 VAL QG 5.500 . 5.500 2.827 2.746 2.994 . 0 0 "[ . 1 . 2 . 3]" 1
972 1 105 LYS QE 1 106 LEU HG 5.500 . 5.500 3.370 2.936 3.908 . 0 0 "[ . 1 . 2 . 3]" 1
973 1 90 LYS HA 1 98 THR H 4.340 . 4.340 3.484 3.180 3.688 . 0 0 "[ . 1 . 2 . 3]" 1
974 1 43 THR MG 1 44 SER H 4.970 . 4.970 3.288 2.924 3.926 . 0 0 "[ . 1 . 2 . 3]" 1
975 1 56 TYR QD 1 106 LEU QD 4.980 . 4.980 2.371 1.815 3.456 . 0 0 "[ . 1 . 2 . 3]" 1
976 1 133 TYR HA 1 134 ASN QD 5.500 . 5.500 4.243 3.457 5.204 . 0 0 "[ . 1 . 2 . 3]" 1
977 1 56 TYR QB 1 106 LEU QD 4.720 . 4.720 1.900 1.788 2.145 0.012 5 0 "[ . 1 . 2 . 3]" 1
978 1 114 ILE HB 1 135 ILE MD 3.660 . 3.660 3.083 2.115 3.650 . 0 0 "[ . 1 . 2 . 3]" 1
979 1 67 ILE H 1 67 ILE QG 4.460 . 4.460 3.913 2.782 4.081 . 0 0 "[ . 1 . 2 . 3]" 1
980 1 38 TYR QE 1 111 ASP QB 5.500 . 5.500 3.925 3.247 4.637 . 0 0 "[ . 1 . 2 . 3]" 1
981 1 137 TYR QD 1 138 LYS H 5.110 . 5.110 3.939 2.843 4.696 . 0 0 "[ . 1 . 2 . 3]" 1
982 1 81 GLU HA 1 81 GLU QG 3.630 . 3.630 2.072 1.920 2.407 . 0 0 "[ . 1 . 2 . 3]" 1
983 1 108 GLY H 1 139 PHE QB 4.520 . 4.520 2.758 2.264 3.524 . 0 0 "[ . 1 . 2 . 3]" 1
984 1 67 ILE MD 1 67 ILE MG 3.720 . 3.720 2.892 1.661 3.210 0.139 29 0 "[ . 1 . 2 . 3]" 1
985 1 81 GLU QB 1 83 HIS HD2 4.270 . 4.270 3.765 2.546 4.398 0.128 10 0 "[ . 1 . 2 . 3]" 1
986 1 38 TYR QB 1 134 ASN HA 5.500 . 5.500 5.458 5.172 5.568 0.068 16 0 "[ . 1 . 2 . 3]" 1
987 1 79 SER HA 1 83 HIS H 4.770 . 4.770 4.560 3.906 4.812 0.042 29 0 "[ . 1 . 2 . 3]" 1
988 1 88 ILE MD 1 88 ILE MG 3.600 . 3.600 1.835 1.790 1.880 0.010 6 0 "[ . 1 . 2 . 3]" 1
989 1 105 LYS QE 1 106 LEU H 5.500 . 5.500 3.696 2.977 4.020 . 0 0 "[ . 1 . 2 . 3]" 1
990 1 80 ILE MG 1 81 GLU QG 4.900 . 4.900 3.116 2.759 3.528 . 0 0 "[ . 1 . 2 . 3]" 1
991 1 118 ILE MG 1 120 GLU H 5.070 . 5.070 3.432 3.208 3.849 . 0 0 "[ . 1 . 2 . 3]" 1
992 1 32 ASN HA 1 53 PRO QD 5.500 . 5.500 5.372 5.110 5.525 0.025 12 0 "[ . 1 . 2 . 3]" 1
993 1 117 TYR QD 1 129 TYR QB 4.940 . 4.940 4.687 4.169 4.951 0.011 17 0 "[ . 1 . 2 . 3]" 1
994 1 88 ILE MD 1 89 SER QB 4.840 . 4.840 3.753 3.485 3.945 . 0 0 "[ . 1 . 2 . 3]" 1
995 1 105 LYS HA 1 106 LEU QD 5.500 . 5.500 3.538 3.181 3.791 . 0 0 "[ . 1 . 2 . 3]" 1
996 1 110 ILE H 1 136 THR MG 4.730 . 4.730 3.512 3.175 4.142 . 0 0 "[ . 1 . 2 . 3]" 1
997 1 58 LYS H 1 59 LYS H 5.230 . 5.230 4.359 4.079 4.482 . 0 0 "[ . 1 . 2 . 3]" 1
998 1 114 ILE MG 1 133 TYR QB 4.510 . 4.510 2.852 2.106 3.329 . 0 0 "[ . 1 . 2 . 3]" 1
999 1 107 ASN QB 1 143 THR HB 4.630 . 4.630 4.407 3.929 4.657 0.027 5 0 "[ . 1 . 2 . 3]" 1
1000 1 87 ILE HA 1 100 GLU H 5.090 . 5.090 5.060 4.520 5.143 0.053 21 0 "[ . 1 . 2 . 3]" 1
1001 1 37 LYS HA 1 44 SER QB 4.150 . 4.150 4.196 4.136 4.243 0.093 11 0 "[ . 1 . 2 . 3]" 1
1002 1 142 PRO QB 1 145 VAL QG 4.560 . 4.560 2.465 1.786 4.046 0.014 21 0 "[ . 1 . 2 . 3]" 1
1003 1 80 ILE MD 1 80 ILE MG 3.620 . 3.620 1.950 1.755 2.440 0.045 25 0 "[ . 1 . 2 . 3]" 1
1004 1 110 ILE HA 1 110 ILE MG 3.400 . 3.400 2.437 2.188 2.679 . 0 0 "[ . 1 . 2 . 3]" 1
1005 1 80 ILE MG 1 103 VAL HA 4.720 . 4.720 4.300 3.841 4.760 0.040 30 0 "[ . 1 . 2 . 3]" 1
1006 1 47 ASN QB 1 48 ASP QB 4.850 . 4.850 4.702 4.045 4.874 0.024 3 0 "[ . 1 . 2 . 3]" 1
1007 1 87 ILE HB 1 90 LYS QE 4.690 . 4.690 3.672 3.178 4.044 . 0 0 "[ . 1 . 2 . 3]" 1
1008 1 55 LYS H 1 55 LYS QB 3.840 . 3.840 2.167 2.067 2.362 . 0 0 "[ . 1 . 2 . 3]" 1
1009 1 91 ASN QB 1 92 THR HA 5.200 . 5.200 4.613 4.534 4.838 . 0 0 "[ . 1 . 2 . 3]" 1
1010 1 79 SER QB 1 84 LYS QB 4.880 . 4.880 4.424 3.825 4.928 0.048 11 0 "[ . 1 . 2 . 3]" 1
1011 1 88 ILE MD 1 98 THR MG 4.060 . 4.060 2.645 2.463 2.809 . 0 0 "[ . 1 . 2 . 3]" 1
1012 1 137 TYR HA 1 138 LYS H 3.710 . 3.710 2.333 2.238 2.449 . 0 0 "[ . 1 . 2 . 3]" 1
1013 1 135 ILE HB 1 136 THR H 4.680 . 4.680 2.619 2.339 3.134 . 0 0 "[ . 1 . 2 . 3]" 1
1014 1 134 ASN HA 1 135 ILE H 3.930 . 3.930 2.481 2.355 2.586 . 0 0 "[ . 1 . 2 . 3]" 1
1015 1 62 LYS HA 1 63 LEU H 3.320 . 3.320 2.388 2.316 2.481 . 0 0 "[ . 1 . 2 . 3]" 1
1016 1 69 VAL QG 1 98 THR HB 4.600 . 4.600 4.670 4.604 4.739 0.139 10 0 "[ . 1 . 2 . 3]" 1
1017 1 47 ASN H 1 48 ASP H 4.790 . 4.790 2.703 2.531 2.929 . 0 0 "[ . 1 . 2 . 3]" 1
1018 1 63 LEU HA 1 64 TYR QB 5.210 . 5.210 4.458 4.356 4.639 . 0 0 "[ . 1 . 2 . 3]" 1
1019 1 88 ILE MG 1 100 GLU QG 5.500 . 5.500 5.027 4.391 5.431 . 0 0 "[ . 1 . 2 . 3]" 1
1020 1 118 ILE MG 1 119 ASP HA 5.500 . 5.500 3.469 3.270 3.686 . 0 0 "[ . 1 . 2 . 3]" 1
1021 1 67 ILE HB 1 80 ILE MD 5.030 . 5.030 4.298 3.626 5.063 0.033 20 0 "[ . 1 . 2 . 3]" 1
1022 1 31 LEU QD 1 56 TYR HA 5.500 . 5.500 4.337 3.362 5.212 . 0 0 "[ . 1 . 2 . 3]" 1
1023 1 57 ILE HB 1 65 VAL HA 5.070 . 5.070 5.075 4.965 5.126 0.056 27 0 "[ . 1 . 2 . 3]" 1
1024 1 80 ILE MG 1 81 GLU QB 4.210 . 4.210 2.020 1.906 2.169 . 0 0 "[ . 1 . 2 . 3]" 1
1025 1 80 ILE MD 1 137 TYR QE 4.340 . 4.340 2.725 2.002 3.710 . 0 0 "[ . 1 . 2 . 3]" 1
1026 1 80 ILE HB 1 101 PHE QB 5.170 . 5.170 3.026 2.458 3.848 . 0 0 "[ . 1 . 2 . 3]" 1
1027 1 80 ILE HA 1 112 GLY QA 4.350 . 4.350 2.100 1.867 2.415 . 0 0 "[ . 1 . 2 . 3]" 1
1028 1 37 LYS QB 1 40 THR HB 5.240 . 5.240 3.512 2.049 3.878 . 0 0 "[ . 1 . 2 . 3]" 1
1029 1 31 LEU H 1 56 TYR H 2.700 . 2.700 2.592 2.400 2.766 0.066 29 0 "[ . 1 . 2 . 3]" 1
1030 1 77 GLY QA 1 115 ASP QB 5.180 . 5.180 3.418 3.092 3.785 . 0 0 "[ . 1 . 2 . 3]" 1
1031 1 81 GLU QB 1 83 HIS H 4.980 . 4.980 3.620 3.393 3.773 . 0 0 "[ . 1 . 2 . 3]" 1
1032 1 91 ASN QD 1 94 LYS H 3.520 . 3.520 2.548 1.953 3.503 . 0 0 "[ . 1 . 2 . 3]" 1
1033 1 35 VAL QG 1 36 TYR QB 4.640 . 4.640 4.595 4.254 4.919 0.279 25 0 "[ . 1 . 2 . 3]" 1
1034 1 112 GLY H 1 113 LYS H 4.450 . 4.450 4.430 4.189 4.513 0.063 2 0 "[ . 1 . 2 . 3]" 1
1035 1 56 TYR HA 1 65 VAL QG 4.550 . 4.550 2.207 1.793 3.491 0.007 2 0 "[ . 1 . 2 . 3]" 1
1036 1 114 ILE QG 1 116 VAL QG 5.500 . 5.500 3.045 2.292 3.332 . 0 0 "[ . 1 . 2 . 3]" 1
1037 1 30 THR MG 1 55 LYS QB 4.120 . 4.120 3.732 3.423 4.133 0.013 26 0 "[ . 1 . 2 . 3]" 1
1038 1 34 GLU QB 1 36 TYR QE 4.020 . 4.020 3.558 3.024 4.049 0.029 29 0 "[ . 1 . 2 . 3]" 1
1039 1 33 TYR QD 1 34 GLU H 4.440 . 4.440 3.393 2.188 3.829 . 0 0 "[ . 1 . 2 . 3]" 1
1040 1 80 ILE MG 1 83 HIS QB 5.500 . 5.500 5.306 4.797 5.552 0.052 7 0 "[ . 1 . 2 . 3]" 1
1041 1 53 PRO QG 1 54 ALA HA 5.470 . 5.470 4.936 4.875 4.993 . 0 0 "[ . 1 . 2 . 3]" 1
1042 1 35 VAL QG 1 135 ILE MG 4.550 . 4.550 3.829 2.322 4.372 . 0 0 "[ . 1 . 2 . 3]" 1
1043 1 119 ASP QB 1 128 LYS QG 5.500 . 5.500 3.569 2.354 4.654 . 0 0 "[ . 1 . 2 . 3]" 1
1044 1 113 LYS QB 1 114 ILE H 5.400 . 5.400 2.612 2.302 2.785 . 0 0 "[ . 1 . 2 . 3]" 1
1045 1 84 LYS HA 1 85 GLU H 3.860 . 3.860 2.616 2.407 2.821 . 0 0 "[ . 1 . 2 . 3]" 1
1046 1 57 ILE H 1 57 ILE MD 4.830 . 4.830 4.678 4.634 4.731 . 0 0 "[ . 1 . 2 . 3]" 1
1047 1 59 LYS H 1 62 LYS H 4.270 . 4.270 3.161 2.695 3.767 . 0 0 "[ . 1 . 2 . 3]" 1
1048 1 38 TYR HA 1 135 ILE HA 5.350 . 5.350 3.896 3.600 4.618 . 0 0 "[ . 1 . 2 . 3]" 1
1049 1 37 LYS HA 1 37 LYS QG 3.990 . 3.990 2.567 2.085 2.979 . 0 0 "[ . 1 . 2 . 3]" 1
1050 1 66 GLN QB 1 98 THR MG 4.060 . 4.060 2.291 2.089 2.471 . 0 0 "[ . 1 . 2 . 3]" 1
1051 1 63 LEU HA 1 106 LEU QD 5.500 . 5.500 5.058 4.615 5.478 . 0 0 "[ . 1 . 2 . 3]" 1
1052 1 63 LEU HG 1 105 LYS QE 5.080 . 5.080 3.463 1.931 4.992 . 0 0 "[ . 1 . 2 . 3]" 1
1053 1 143 THR HB 1 144 ASP HA 5.330 . 5.330 4.550 4.035 5.191 . 0 0 "[ . 1 . 2 . 3]" 1
1054 1 30 THR HA 1 30 THR MG 3.170 . 3.170 2.063 1.916 2.159 . 0 0 "[ . 1 . 2 . 3]" 1
1055 1 66 GLN HA 1 67 ILE H 3.680 . 3.680 2.226 2.202 2.276 . 0 0 "[ . 1 . 2 . 3]" 1
1056 1 139 PHE QD 1 140 ASN H 4.920 . 4.920 3.638 3.007 4.214 . 0 0 "[ . 1 . 2 . 3]" 1
1057 1 141 GLY QA 1 142 PRO QB 5.500 . 5.500 4.364 4.315 4.419 . 0 0 "[ . 1 . 2 . 3]" 1
1058 1 57 ILE H 1 57 ILE HB 4.080 . 4.080 3.565 3.517 3.601 . 0 0 "[ . 1 . 2 . 3]" 1
1059 1 57 ILE MG 1 100 GLU QG 3.710 . 3.710 3.401 3.153 3.694 . 0 0 "[ . 1 . 2 . 3]" 1
1060 1 140 ASN QB 1 141 GLY H 5.000 . 5.000 3.705 3.593 3.767 . 0 0 "[ . 1 . 2 . 3]" 1
1061 1 33 TYR QB 1 139 PHE HA 4.030 . 4.030 2.027 1.880 2.266 . 0 0 "[ . 1 . 2 . 3]" 1
1062 1 86 ASN QB 1 87 ILE H 4.710 . 4.710 3.584 3.261 3.845 . 0 0 "[ . 1 . 2 . 3]" 1
1063 1 94 LYS H 1 96 GLU H 4.140 . 4.140 4.004 3.391 4.171 0.031 26 0 "[ . 1 . 2 . 3]" 1
1064 1 91 ASN HA 1 92 THR HA 5.070 . 5.070 4.623 4.518 4.768 . 0 0 "[ . 1 . 2 . 3]" 1
1065 1 46 ALA HA 1 47 ASN H 5.500 . 5.500 3.489 3.270 3.592 . 0 0 "[ . 1 . 2 . 3]" 1
1066 1 139 PHE H 1 139 PHE QD 5.170 . 5.170 2.965 2.388 3.844 . 0 0 "[ . 1 . 2 . 3]" 1
1067 1 70 ASN QB 1 75 ILE MG 4.480 . 4.480 4.416 3.977 4.545 0.065 10 0 "[ . 1 . 2 . 3]" 1
1068 1 88 ILE H 1 89 SER H 3.100 . 3.100 2.254 1.875 2.298 . 0 0 "[ . 1 . 2 . 3]" 1
1069 1 121 LYS HA 1 125 LYS H 3.500 . 3.500 3.198 2.960 3.689 0.189 10 0 "[ . 1 . 2 . 3]" 1
1070 1 118 ILE H 1 129 TYR H 3.700 . 3.700 3.032 2.469 3.637 . 0 0 "[ . 1 . 2 . 3]" 1
1071 1 122 VAL H 1 127 PHE H 5.400 . 5.400 3.713 2.802 4.686 . 0 0 "[ . 1 . 2 . 3]" 1
1072 1 124 GLY H 1 125 LYS H 3.100 . 3.100 2.351 1.948 2.588 . 0 0 "[ . 1 . 2 . 3]" 1
1073 1 123 ASN QB 1 125 LYS H 5.200 . 5.200 4.313 3.847 4.758 . 0 0 "[ . 1 . 2 . 3]" 1
1074 1 82 GLY H 1 83 HIS H 3.100 . 3.100 2.300 2.171 2.472 . 0 0 "[ . 1 . 2 . 3]" 1
1075 1 122 VAL H 1 125 LYS H 3.100 . 3.100 2.845 1.876 3.166 0.066 21 0 "[ . 1 . 2 . 3]" 1
1076 1 123 ASN H 1 124 GLY H 5.400 . 5.400 2.778 2.564 2.942 . 0 0 "[ . 1 . 2 . 3]" 1
1077 1 119 ASP H 1 120 GLU H 3.700 . 3.700 3.643 3.567 3.781 0.081 29 0 "[ . 1 . 2 . 3]" 1
1078 1 74 TRP HE1 1 118 ILE MG 3.200 . 3.200 3.188 3.038 3.269 0.069 21 0 "[ . 1 . 2 . 3]" 1
1079 1 127 PHE H 1 127 PHE QD 5.200 . 5.200 3.796 1.953 4.306 . 0 0 "[ . 1 . 2 . 3]" 1
1080 1 86 ASN H 1 100 GLU H 3.100 . 3.100 2.889 2.579 3.086 . 0 0 "[ . 1 . 2 . 3]" 1
1081 1 121 LYS HA 1 127 PHE H 3.500 . 3.500 3.043 2.715 3.318 . 0 0 "[ . 1 . 2 . 3]" 1
1082 1 120 GLU H 1 127 PHE H 3.100 . 3.100 3.032 2.742 3.137 0.037 11 0 "[ . 1 . 2 . 3]" 1
1083 1 74 TRP HA 1 74 TRP HE1 5.000 . 5.000 4.421 4.298 4.520 . 0 0 "[ . 1 . 2 . 3]" 1
1084 1 80 ILE H 1 83 HIS H 3.100 . 3.100 2.938 2.566 3.169 0.069 17 0 "[ . 1 . 2 . 3]" 1
1085 1 127 PHE QD 1 128 LYS H 5.200 . 5.200 2.881 2.097 4.324 . 0 0 "[ . 1 . 2 . 3]" 1
1086 1 57 ILE MD 1 65 VAL HA 5.500 . 5.500 5.578 5.511 5.664 0.164 19 0 "[ . 1 . 2 . 3]" 1
1087 1 28 SER QB 1 57 ILE QG 3.300 . 3.300 3.256 2.999 3.358 0.058 7 0 "[ . 1 . 2 . 3]" 1
1088 1 63 LEU HA 1 103 VAL QG 5.500 . 5.500 5.596 5.365 5.679 0.179 16 0 "[ . 1 . 2 . 3]" 1
1089 1 36 TYR QB 1 41 ASN HA 5.000 . 5.000 3.093 2.537 4.346 . 0 0 "[ . 1 . 2 . 3]" 1
1090 1 85 GLU QG 1 87 ILE MG 5.500 . 5.500 3.551 3.109 4.360 . 0 0 "[ . 1 . 2 . 3]" 1
1091 1 70 ASN QB 1 96 GLU QG 5.000 . 5.000 4.586 4.025 5.020 0.020 2 0 "[ . 1 . 2 . 3]" 1
1092 1 50 PHE HA 1 69 VAL HA 5.000 . 5.000 3.755 3.027 4.385 . 0 0 "[ . 1 . 2 . 3]" 1
1093 1 79 SER QB 1 84 LYS HA 3.300 . 3.300 2.450 1.955 3.141 . 0 0 "[ . 1 . 2 . 3]" 1
1094 1 121 LYS QB 1 124 GLY QA 5.000 . 5.000 2.970 2.553 4.340 . 0 0 "[ . 1 . 2 . 3]" 1
1095 1 34 GLU HA 1 140 ASN QD 6.000 . 6.000 5.054 4.623 5.652 . 0 0 "[ . 1 . 2 . 3]" 1
1096 1 28 SER QB 1 57 ILE HA 3.300 . 3.300 3.315 3.133 3.381 0.081 4 0 "[ . 1 . 2 . 3]" 1
1097 1 63 LEU QD 1 105 LYS QB 3.800 . 3.800 3.427 3.224 3.781 . 0 0 "[ . 1 . 2 . 3]" 1
1098 1 118 ILE MG 1 122 VAL QG 6.000 . 6.000 3.760 2.793 4.521 . 0 0 "[ . 1 . 2 . 3]" 1
1099 1 54 ALA HA 1 67 ILE QG 5.000 . 5.000 4.688 4.235 5.020 0.020 29 0 "[ . 1 . 2 . 3]" 1
1100 1 37 LYS QB 1 42 ASP QB 5.000 . 5.000 4.076 3.641 4.702 . 0 0 "[ . 1 . 2 . 3]" 1
1101 1 64 TYR HA 1 103 VAL QG 5.500 . 5.500 3.163 2.867 3.525 . 0 0 "[ . 1 . 2 . 3]" 1
1102 1 65 VAL QG 1 66 GLN QG 3.800 . 3.800 3.639 3.342 3.840 0.040 14 0 "[ . 1 . 2 . 3]" 1
1103 1 69 VAL QG 1 75 ILE MD 4.300 . 4.300 2.875 1.853 4.299 . 0 0 "[ . 1 . 2 . 3]" 1
1104 1 70 ASN HA 1 96 GLU QB 5.000 . 5.000 4.641 4.093 5.019 0.019 28 0 "[ . 1 . 2 . 3]" 1
1105 1 58 LYS QG 1 63 LEU QD 3.800 . 3.800 2.976 2.431 3.532 . 0 0 "[ . 1 . 2 . 3]" 1
1106 1 120 GLU QG 1 122 VAL QG 5.500 . 5.500 2.990 2.310 3.920 . 0 0 "[ . 1 . 2 . 3]" 1
1107 1 119 ASP HA 1 128 LYS HA 3.300 . 3.300 2.735 2.115 3.207 . 0 0 "[ . 1 . 2 . 3]" 1
1108 1 46 ALA MB 1 48 ASP H 5.700 . 5.700 4.358 4.144 4.765 . 0 0 "[ . 1 . 2 . 3]" 1
1109 1 63 LEU QB 1 103 VAL QG 5.500 . 5.500 4.452 4.149 4.787 . 0 0 "[ . 1 . 2 . 3]" 1
1110 1 27 ASP HA 1 58 LYS QB 5.000 . 5.000 3.463 2.784 4.248 . 0 0 "[ . 1 . 2 . 3]" 1
1111 1 34 GLU QG 1 43 THR MG 3.800 . 3.800 3.400 2.418 3.824 0.024 7 0 "[ . 1 . 2 . 3]" 1
1112 1 35 VAL HB 1 47 ASN QB 5.000 . 5.000 4.888 4.377 5.058 0.058 14 0 "[ . 1 . 2 . 3]" 1
1113 1 94 LYS QB 1 96 GLU QG 5.000 . 5.000 3.230 2.760 3.562 . 0 0 "[ . 1 . 2 . 3]" 1
1114 1 88 ILE QG 1 99 SER HA 5.000 . 5.000 4.777 4.098 5.011 0.011 14 0 "[ . 1 . 2 . 3]" 1
1115 1 75 ILE MG 1 78 MET QG 5.500 . 5.500 4.491 3.823 5.399 . 0 0 "[ . 1 . 2 . 3]" 1
1116 1 33 TYR QE 1 54 ALA HA 5.000 . 5.000 3.620 3.161 4.066 . 0 0 "[ . 1 . 2 . 3]" 1
1117 1 35 VAL HB 1 47 ASN HA 5.000 . 5.000 4.793 3.796 5.040 0.040 25 0 "[ . 1 . 2 . 3]" 1
1118 1 35 VAL HA 1 136 THR H 5.200 . 5.200 4.812 4.048 5.145 . 0 0 "[ . 1 . 2 . 3]" 1
1119 1 35 VAL QG 1 47 ASN QB 5.500 . 5.500 3.097 2.185 4.614 . 0 0 "[ . 1 . 2 . 3]" 1
1120 1 37 LYS QE 1 40 THR MG 3.800 . 3.800 3.838 3.763 3.948 0.148 21 0 "[ . 1 . 2 . 3]" 1
1121 1 43 THR MG 1 47 ASN HA 5.500 . 5.500 2.857 1.902 3.985 . 0 0 "[ . 1 . 2 . 3]" 1
1122 1 80 ILE MD 1 112 GLY QA 5.500 . 5.500 4.041 3.433 4.610 . 0 0 "[ . 1 . 2 . 3]" 1
1123 1 75 ILE MG 1 78 MET QB 5.500 . 5.500 5.384 4.796 5.537 0.037 10 0 "[ . 1 . 2 . 3]" 1
1124 1 63 LEU QD 1 64 TYR H 5.700 . 5.700 3.602 2.966 4.029 . 0 0 "[ . 1 . 2 . 3]" 1
1125 1 27 ASP QB 1 28 SER QB 3.300 . 3.300 3.412 3.355 3.460 0.160 16 0 "[ . 1 . 2 . 3]" 1
1126 1 90 LYS QB 1 97 ARG HA 5.000 . 5.000 4.467 4.182 4.649 . 0 0 "[ . 1 . 2 . 3]" 1
1127 1 57 ILE QG 1 64 TYR H 5.200 . 5.200 3.399 3.130 3.608 . 0 0 "[ . 1 . 2 . 3]" 1
1128 1 117 TYR QE 1 119 ASP QB 5.000 . 5.000 3.734 2.965 4.398 . 0 0 "[ . 1 . 2 . 3]" 1
1129 1 98 THR MG 1 99 SER HA 5.500 . 5.500 3.559 3.475 3.678 . 0 0 "[ . 1 . 2 . 3]" 1
1130 1 37 LYS QB 1 42 ASP HA 5.000 . 5.000 5.033 4.915 5.090 0.090 17 0 "[ . 1 . 2 . 3]" 1
1131 1 88 ILE MG 1 100 GLU HA 5.500 . 5.500 4.691 4.214 5.064 . 0 0 "[ . 1 . 2 . 3]" 1
1132 1 66 GLN QG 1 98 THR MG 5.500 . 5.500 3.108 2.192 3.790 . 0 0 "[ . 1 . 2 . 3]" 1
1133 1 33 TYR QE 1 54 ALA MB 3.800 . 3.800 2.603 1.872 2.871 . 0 0 "[ . 1 . 2 . 3]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 19
_Distance_constraint_stats_list.Viol_count 121
_Distance_constraint_stats_list.Viol_total 265.087
_Distance_constraint_stats_list.Viol_max 0.242
_Distance_constraint_stats_list.Viol_rms 0.0408
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0155
_Distance_constraint_stats_list.Viol_average_violations_only 0.0730
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 45 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 46 ALA 1.807 0.084 8 0 "[ . 1 . 2 . 3]"
1 74 TRP 0.922 0.206 18 0 "[ . 1 . 2 . 3]"
1 75 ILE 0.020 0.020 23 0 "[ . 1 . 2 . 3]"
1 114 ILE 0.031 0.031 3 0 "[ . 1 . 2 . 3]"
1 116 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 118 ILE 4.653 0.242 30 0 "[ . 1 . 2 . 3]"
1 127 PHE 0.044 0.026 23 0 "[ . 1 . 2 . 3]"
1 129 TYR 1.359 0.126 11 0 "[ . 1 . 2 . 3]"
1 135 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 1 ZNH 8.836 0.242 30 0 "[ . 1 . 2 . 3]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 45 ILE MD 2 1 ZNH HHA 5.500 . 5.500 3.518 2.963 4.609 . 0 0 "[ . 1 . 2 . 3]" 2
2 1 118 ILE MD 2 1 ZNH HHC 3.300 . 3.300 3.092 2.700 3.313 0.013 30 0 "[ . 1 . 2 . 3]" 2
3 1 118 ILE MD 2 1 ZNH HAB 3.300 . 3.300 3.455 3.350 3.542 0.242 30 0 "[ . 1 . 2 . 3]" 2
4 1 116 VAL MG1 2 1 ZNH HHC 5.500 . 5.500 3.618 3.056 4.290 . 0 0 "[ . 1 . 2 . 3]" 2
5 1 116 VAL MG2 2 1 ZNH HHD 5.500 . 5.500 4.132 3.591 5.042 . 0 0 "[ . 1 . 2 . 3]" 2
6 1 116 VAL MG2 2 1 ZNH HAC 5.500 . 5.500 4.274 3.049 5.342 . 0 0 "[ . 1 . 2 . 3]" 2
7 1 46 ALA MB 2 1 ZNH HHD 3.300 . 3.300 3.355 3.309 3.384 0.084 8 0 "[ . 1 . 2 . 3]" 2
8 1 46 ALA MB 2 1 ZNH HAC 3.800 . 3.800 3.514 2.196 3.844 0.044 25 0 "[ . 1 . 2 . 3]" 2
9 1 135 ILE MG 2 1 ZNH HHD 5.500 . 5.500 3.549 3.128 3.925 . 0 0 "[ . 1 . 2 . 3]" 2
10 1 114 ILE MD 2 1 ZNH HHD 5.500 . 5.500 2.918 2.474 3.364 . 0 0 "[ . 1 . 2 . 3]" 2
11 1 114 ILE MD 2 1 ZNH HBC1 3.800 . 3.800 3.283 2.381 3.831 0.031 3 0 "[ . 1 . 2 . 3]" 2
12 1 114 ILE MD 2 1 ZNH HAC 3.800 . 3.800 2.265 1.777 3.690 . 0 0 "[ . 1 . 2 . 3]" 2
13 1 129 TYR OH 2 1 ZNH ZN 2.200 . 2.600 2.644 2.548 2.726 0.126 11 0 "[ . 1 . 2 . 3]" 2
14 1 74 TRP HA 2 1 ZNH HBB1 3.800 . 3.800 3.581 2.946 3.828 0.028 23 0 "[ . 1 . 2 . 3]" 2
15 1 74 TRP HA 2 1 ZNH HBB2 3.800 . 3.800 3.555 3.205 4.006 0.206 18 0 "[ . 1 . 2 . 3]" 2
16 1 45 ILE MD 2 1 ZNH HAD1 5.500 . 5.500 3.687 2.632 4.976 . 0 0 "[ . 1 . 2 . 3]" 2
17 1 45 ILE MD 2 1 ZNH HBD2 5.500 . 5.500 3.737 1.982 5.487 . 0 0 "[ . 1 . 2 . 3]" 2
18 1 75 ILE MD 2 1 ZNH HBC1 3.800 . 3.800 2.623 1.894 3.820 0.020 23 0 "[ . 1 . 2 . 3]" 2
19 1 127 PHE QR 2 1 ZNH HBB1 3.800 . 3.800 3.642 3.186 3.826 0.026 23 0 "[ . 1 . 2 . 3]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 82
_Distance_constraint_stats_list.Viol_count 333
_Distance_constraint_stats_list.Viol_total 482.632
_Distance_constraint_stats_list.Viol_max 0.219
_Distance_constraint_stats_list.Viol_rms 0.0219
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0065
_Distance_constraint_stats_list.Viol_average_violations_only 0.0483
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 29 GLY 0.080 0.080 29 0 "[ . 1 . 2 . 3]"
1 31 LEU 0.319 0.083 29 0 "[ . 1 . 2 . 3]"
1 32 ASN 3.799 0.219 15 0 "[ . 1 . 2 . 3]"
1 34 GLU 0.040 0.014 21 0 "[ . 1 . 2 . 3]"
1 46 ALA 0.041 0.031 21 0 "[ . 1 . 2 . 3]"
1 49 TYR 1.821 0.088 21 0 "[ . 1 . 2 . 3]"
1 54 ALA 0.319 0.083 29 0 "[ . 1 . 2 . 3]"
1 55 LYS 0.376 0.041 9 0 "[ . 1 . 2 . 3]"
1 56 TYR 0.080 0.080 29 0 "[ . 1 . 2 . 3]"
1 57 ILE 0.023 0.023 27 0 "[ . 1 . 2 . 3]"
1 64 TYR 0.023 0.023 27 0 "[ . 1 . 2 . 3]"
1 65 VAL 0.154 0.044 28 0 "[ . 1 . 2 . 3]"
1 66 GLN 0.376 0.041 9 0 "[ . 1 . 2 . 3]"
1 67 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 69 VAL 0.309 0.066 3 0 "[ . 1 . 2 . 3]"
1 70 ASN 1.780 0.088 21 0 "[ . 1 . 2 . 3]"
1 71 HIS 0.206 0.041 1 0 "[ . 1 . 2 . 3]"
1 74 TRP 2.894 0.121 30 0 "[ . 1 . 2 . 3]"
1 77 GLY 2.061 0.120 28 0 "[ . 1 . 2 . 3]"
1 79 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 91 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 95 ASP 0.206 0.041 1 0 "[ . 1 . 2 . 3]"
1 96 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 97 ARG 0.309 0.066 3 0 "[ . 1 . 2 . 3]"
1 99 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 101 PHE 0.154 0.044 28 0 "[ . 1 . 2 . 3]"
1 108 GLY 0.173 0.054 26 0 "[ . 1 . 2 . 3]"
1 110 ILE 0.160 0.056 19 0 "[ . 1 . 2 . 3]"
1 112 GLY 1.808 0.096 8 0 "[ . 1 . 2 . 3]"
1 113 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 114 ILE 0.031 0.027 9 0 "[ . 1 . 2 . 3]"
1 115 ASP 2.061 0.120 28 0 "[ . 1 . 2 . 3]"
1 116 VAL 1.603 0.095 29 0 "[ . 1 . 2 . 3]"
1 117 TYR 2.894 0.121 30 0 "[ . 1 . 2 . 3]"
1 118 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 120 GLU 0.230 0.043 14 0 "[ . 1 . 2 . 3]"
1 127 PHE 0.230 0.043 14 0 "[ . 1 . 2 . 3]"
1 129 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 131 HIS 1.603 0.095 29 0 "[ . 1 . 2 . 3]"
1 133 TYR 0.031 0.027 9 0 "[ . 1 . 2 . 3]"
1 135 ILE 1.808 0.096 8 0 "[ . 1 . 2 . 3]"
1 137 TYR 0.160 0.056 19 0 "[ . 1 . 2 . 3]"
1 138 LYS 0.040 0.014 21 0 "[ . 1 . 2 . 3]"
1 139 PHE 0.173 0.054 26 0 "[ . 1 . 2 . 3]"
1 140 ASN 3.799 0.219 15 0 "[ . 1 . 2 . 3]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 29 GLY O 1 56 TYR N 3.300 2.300 3.500 2.774 2.517 3.195 . 0 0 "[ . 1 . 2 . 3]" 3
2 1 29 GLY O 1 56 TYR H 2.300 . 2.500 1.981 1.647 2.580 0.080 29 0 "[ . 1 . 2 . 3]" 3
3 1 29 GLY N 1 56 TYR O 3.300 2.300 3.500 3.014 2.883 3.175 . 0 0 "[ . 1 . 2 . 3]" 3
4 1 29 GLY H 1 56 TYR O 2.300 . 2.500 2.137 1.991 2.451 . 0 0 "[ . 1 . 2 . 3]" 3
5 1 31 LEU O 1 54 ALA N 3.300 2.300 3.500 3.268 2.917 3.469 . 0 0 "[ . 1 . 2 . 3]" 3
6 1 31 LEU O 1 54 ALA H 2.300 . 2.500 2.465 2.078 2.583 0.083 29 0 "[ . 1 . 2 . 3]" 3
7 1 31 LEU N 1 54 ALA O 3.300 2.300 3.500 2.799 2.573 3.085 . 0 0 "[ . 1 . 2 . 3]" 3
8 1 31 LEU H 1 54 ALA O 2.300 . 2.500 2.107 1.808 2.527 0.027 29 0 "[ . 1 . 2 . 3]" 3
9 1 34 GLU O 1 138 LYS N 3.300 2.300 3.500 2.794 2.521 3.444 . 0 0 "[ . 1 . 2 . 3]" 3
10 1 34 GLU O 1 138 LYS H 2.300 . 2.500 2.083 1.705 2.514 0.014 21 0 "[ . 1 . 2 . 3]" 3
11 1 34 GLU N 1 138 LYS O 3.300 2.300 3.500 2.905 2.536 3.365 . 0 0 "[ . 1 . 2 . 3]" 3
12 1 34 GLU H 1 138 LYS O 2.300 . 2.500 2.003 1.611 2.505 0.005 8 0 "[ . 1 . 2 . 3]" 3
13 1 32 ASN O 1 140 ASN N 3.300 2.300 3.500 2.599 2.509 2.800 . 0 0 "[ . 1 . 2 . 3]" 3
14 1 32 ASN O 1 140 ASN H 2.300 . 2.500 1.870 1.586 2.168 . 0 0 "[ . 1 . 2 . 3]" 3
15 1 32 ASN N 1 140 ASN O 3.300 2.300 3.500 3.292 3.212 3.381 . 0 0 "[ . 1 . 2 . 3]" 3
16 1 32 ASN H 1 140 ASN O 2.300 . 2.500 2.627 2.546 2.719 0.219 15 0 "[ . 1 . 2 . 3]" 3
17 1 55 LYS O 1 66 GLN N 3.300 2.300 3.500 2.799 2.689 2.953 . 0 0 "[ . 1 . 2 . 3]" 3
18 1 55 LYS O 1 66 GLN H 2.300 . 2.500 1.880 1.750 2.248 . 0 0 "[ . 1 . 2 . 3]" 3
19 1 55 LYS N 1 66 GLN O 3.300 2.300 3.500 3.435 3.343 3.506 0.006 17 0 "[ . 1 . 2 . 3]" 3
20 1 55 LYS H 1 66 GLN O 2.300 . 2.500 2.505 2.374 2.541 0.041 9 0 "[ . 1 . 2 . 3]" 3
21 1 57 ILE O 1 64 TYR N 3.300 2.300 3.500 2.676 2.528 2.791 . 0 0 "[ . 1 . 2 . 3]" 3
22 1 57 ILE O 1 64 TYR H 2.300 . 2.500 1.793 1.619 1.925 . 0 0 "[ . 1 . 2 . 3]" 3
23 1 57 ILE N 1 64 TYR O 3.300 2.300 3.500 3.015 2.547 3.400 . 0 0 "[ . 1 . 2 . 3]" 3
24 1 57 ILE H 1 64 TYR O 2.300 . 2.500 2.127 1.751 2.523 0.023 27 0 "[ . 1 . 2 . 3]" 3
25 1 49 TYR O 1 70 ASN N 3.300 2.300 3.500 3.421 3.196 3.502 0.002 8 0 "[ . 1 . 2 . 3]" 3
26 1 49 TYR O 1 70 ASN H 2.300 . 2.500 2.559 2.507 2.588 0.088 21 0 "[ . 1 . 2 . 3]" 3
27 1 91 ASN O 1 96 GLU N 3.300 2.300 3.500 2.845 2.639 3.256 . 0 0 "[ . 1 . 2 . 3]" 3
28 1 91 ASN O 1 96 GLU H 2.300 . 2.500 1.920 1.670 2.463 . 0 0 "[ . 1 . 2 . 3]" 3
29 1 65 VAL N 1 101 PHE O 3.300 2.300 3.500 3.066 2.724 3.298 . 0 0 "[ . 1 . 2 . 3]" 3
30 1 65 VAL H 1 101 PHE O 2.300 . 2.500 2.394 2.037 2.544 0.044 28 0 "[ . 1 . 2 . 3]" 3
31 1 65 VAL O 1 101 PHE N 3.300 2.300 3.500 2.781 2.602 2.997 . 0 0 "[ . 1 . 2 . 3]" 3
32 1 65 VAL O 1 101 PHE H 2.300 . 2.500 1.932 1.686 2.190 . 0 0 "[ . 1 . 2 . 3]" 3
33 1 67 ILE N 1 99 SER O 3.300 2.300 3.500 2.884 2.670 3.162 . 0 0 "[ . 1 . 2 . 3]" 3
34 1 67 ILE H 1 99 SER O 2.300 . 2.500 1.956 1.737 2.253 . 0 0 "[ . 1 . 2 . 3]" 3
35 1 67 ILE O 1 99 SER N 3.300 2.300 3.500 3.131 2.987 3.271 . 0 0 "[ . 1 . 2 . 3]" 3
36 1 67 ILE O 1 99 SER H 2.300 . 2.500 2.265 2.096 2.421 . 0 0 "[ . 1 . 2 . 3]" 3
37 1 69 VAL N 1 97 ARG O 3.300 2.300 3.500 2.582 2.513 2.733 . 0 0 "[ . 1 . 2 . 3]" 3
38 1 69 VAL H 1 97 ARG O 2.300 . 2.500 1.620 1.538 1.767 . 0 0 "[ . 1 . 2 . 3]" 3
39 1 69 VAL O 1 97 ARG N 3.300 2.300 3.500 3.231 2.915 3.399 . 0 0 "[ . 1 . 2 . 3]" 3
40 1 69 VAL O 1 97 ARG H 2.300 . 2.500 2.444 1.946 2.566 0.066 3 0 "[ . 1 . 2 . 3]" 3
41 1 108 GLY N 1 139 PHE O 3.300 2.300 3.500 2.813 2.523 3.115 . 0 0 "[ . 1 . 2 . 3]" 3
42 1 108 GLY H 1 139 PHE O 2.300 . 2.500 2.094 1.552 2.535 0.035 23 0 "[ . 1 . 2 . 3]" 3
43 1 108 GLY O 1 139 PHE N 3.300 2.300 3.500 3.028 2.660 3.324 . 0 0 "[ . 1 . 2 . 3]" 3
44 1 108 GLY O 1 139 PHE H 2.300 . 2.500 2.283 1.746 2.554 0.054 26 0 "[ . 1 . 2 . 3]" 3
45 1 110 ILE N 1 137 TYR O 3.300 2.300 3.500 2.856 2.529 3.268 . 0 0 "[ . 1 . 2 . 3]" 3
46 1 110 ILE H 1 137 TYR O 2.300 . 2.500 1.998 1.583 2.500 0.000 17 0 "[ . 1 . 2 . 3]" 3
47 1 110 ILE O 1 137 TYR N 3.300 2.300 3.500 3.008 2.795 3.258 . 0 0 "[ . 1 . 2 . 3]" 3
48 1 110 ILE O 1 137 TYR H 2.300 . 2.500 2.154 1.887 2.556 0.056 19 0 "[ . 1 . 2 . 3]" 3
49 1 112 GLY N 1 135 ILE O 3.300 2.300 3.500 3.351 3.129 3.488 . 0 0 "[ . 1 . 2 . 3]" 3
50 1 112 GLY H 1 135 ILE O 2.300 . 2.500 2.489 2.203 2.583 0.083 25 0 "[ . 1 . 2 . 3]" 3
51 1 112 GLY O 1 135 ILE N 3.300 2.300 3.500 3.377 2.804 3.506 0.006 30 0 "[ . 1 . 2 . 3]" 3
52 1 112 GLY O 1 135 ILE H 2.300 . 2.500 2.454 1.843 2.596 0.096 8 0 "[ . 1 . 2 . 3]" 3
53 1 114 ILE N 1 133 TYR O 3.300 2.300 3.500 2.793 2.536 3.194 . 0 0 "[ . 1 . 2 . 3]" 3
54 1 114 ILE H 1 133 TYR O 2.300 . 2.500 1.859 1.578 2.307 . 0 0 "[ . 1 . 2 . 3]" 3
55 1 114 ILE O 1 133 TYR N 3.300 2.300 3.500 2.885 2.586 3.195 . 0 0 "[ . 1 . 2 . 3]" 3
56 1 114 ILE O 1 133 TYR H 2.300 . 2.500 2.217 1.898 2.527 0.027 9 0 "[ . 1 . 2 . 3]" 3
57 1 116 VAL N 1 131 HIS O 3.300 2.300 3.500 3.226 2.892 3.503 0.003 16 0 "[ . 1 . 2 . 3]" 3
58 1 116 VAL H 1 131 HIS O 2.300 . 2.500 2.272 1.956 2.524 0.024 16 0 "[ . 1 . 2 . 3]" 3
59 1 116 VAL O 1 131 HIS N 3.300 2.300 3.500 3.350 3.259 3.445 . 0 0 "[ . 1 . 2 . 3]" 3
60 1 116 VAL O 1 131 HIS H 2.300 . 2.500 2.552 2.511 2.595 0.095 29 0 "[ . 1 . 2 . 3]" 3
61 1 118 ILE N 1 129 TYR O 3.300 2.300 3.500 2.694 2.518 3.155 . 0 0 "[ . 1 . 2 . 3]" 3
62 1 118 ILE H 1 129 TYR O 2.300 . 2.500 1.772 1.573 2.263 . 0 0 "[ . 1 . 2 . 3]" 3
63 1 118 ILE O 1 129 TYR N 3.300 2.300 3.500 2.873 2.532 3.156 . 0 0 "[ . 1 . 2 . 3]" 3
64 1 118 ILE O 1 129 TYR H 2.300 . 2.500 1.980 1.569 2.496 . 0 0 "[ . 1 . 2 . 3]" 3
65 1 120 GLU N 1 127 PHE O 3.300 2.300 3.500 3.372 3.137 3.465 . 0 0 "[ . 1 . 2 . 3]" 3
66 1 120 GLU H 1 127 PHE O 2.300 . 2.500 2.463 2.289 2.543 0.043 14 0 "[ . 1 . 2 . 3]" 3
67 1 120 GLU O 1 127 PHE N 3.300 2.300 3.500 2.731 2.527 2.961 . 0 0 "[ . 1 . 2 . 3]" 3
68 1 120 GLU O 1 127 PHE H 2.300 . 2.500 1.809 1.566 2.129 . 0 0 "[ . 1 . 2 . 3]" 3
69 1 77 GLY N 1 115 ASP O 3.300 2.300 3.500 3.369 3.187 3.489 . 0 0 "[ . 1 . 2 . 3]" 3
70 1 77 GLY H 1 115 ASP O 2.300 . 2.500 2.545 2.410 2.620 0.120 28 0 "[ . 1 . 2 . 3]" 3
71 1 77 GLY O 1 115 ASP N 3.300 2.300 3.500 3.307 3.156 3.389 . 0 0 "[ . 1 . 2 . 3]" 3
72 1 77 GLY O 1 115 ASP H 2.300 . 2.500 2.491 2.333 2.551 0.051 18 0 "[ . 1 . 2 . 3]" 3
73 1 79 SER N 1 113 LYS O 3.300 2.300 3.500 2.522 2.490 2.781 . 0 0 "[ . 1 . 2 . 3]" 3
74 1 79 SER H 1 113 LYS O 2.300 . 2.500 1.800 1.670 1.957 . 0 0 "[ . 1 . 2 . 3]" 3
75 1 79 SER O 1 113 LYS N 3.300 2.300 3.500 2.795 2.517 3.364 . 0 0 "[ . 1 . 2 . 3]" 3
76 1 79 SER O 1 113 LYS H 2.300 . 2.500 1.868 1.537 2.437 . 0 0 "[ . 1 . 2 . 3]" 3
77 1 74 TRP O 1 117 TYR N 3.300 2.300 3.500 3.507 3.465 3.546 0.046 18 0 "[ . 1 . 2 . 3]" 3
78 1 74 TRP O 1 117 TYR H 2.300 . 2.500 2.584 2.548 2.621 0.121 30 0 "[ . 1 . 2 . 3]" 3
79 1 71 HIS N 1 95 ASP O 3.300 2.300 3.500 3.175 2.804 3.416 . 0 0 "[ . 1 . 2 . 3]" 3
80 1 71 HIS H 1 95 ASP O 2.300 . 2.500 2.415 2.190 2.541 0.041 1 0 "[ . 1 . 2 . 3]" 3
81 1 46 ALA O 1 49 TYR N 3.300 2.300 3.500 3.069 2.621 3.478 . 0 0 "[ . 1 . 2 . 3]" 3
82 1 46 ALA O 1 49 TYR H 2.300 . 2.500 2.142 1.669 2.531 0.031 21 0 "[ . 1 . 2 . 3]" 3
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